3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one

IUPAC: 3-acetyl-4-hydroxy-6-methylpyran-2-one

CAS 771-03-9 C8H8O4

3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one (CAS 771-03-9) is a chemical compound with molecular formula C8H8O4 and molecular weight 168.15 g/mol .

What is 3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one?

Molecular Formula
C8H8O4
Molecular Weight
168.15 g/mol
Melting Point
109 °C

Structure Identifiers

SMILES
CC1=CC(=C(C(=O)O1)C(=O)C)O
InChI
InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,10H,1-2H3
InChIKey
PKLPQOJFHFGVBS-UHFFFAOYSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
168.0423 Da
XLogP
1.00
TPSA
63.6 Ų
H-Bond Donors
1
H-Bond Acceptors
4
Complexity
309
Formal Charge
0

Safety information

No safety data available for this chemical.

Synonyms (81)

  • Q920725
  • 771-03-9
  • AAA77103
  • HSDB 291
  • SY083793
  • AI3-01464
  • DB-365912
  • DHA (VAN)
  • EBC-13466
  • STK801879
  • STL146176
  • 2KAG279R6R
  • 45990-86-1
  • 53488-80-5
  • CS-0371456
  • F3282-0017
  • HMS2267L15
  • NS00079672
  • NSC 139150
  • NSC-139150
  • Z104500152
  • ALBB-021316
  • BRN 0006129
  • BDBM50012423
  • MFCD00006634
  • MLS001049074
  • SCHEMBL17788
  • SMR000386912
  • AKOS000120795
  • AKOS003406223
  • AKOS004119848
  • CHEMBL1724669
  • CHEMBL3306255
  • SMSSF-0055811
  • dehydroacetate
  • DTXSID20892343
  • DTXSID60892342
  • DTXSID70874033
  • SCHEMBL1308058
  • Caswell No. 278
  • DTXCID001160069
  • DTXSID801015814
  • NCGC00246194-01
  • RefChem:1067258
  • SCHEMBL14447243
  • UNII-2KAG279R6R
  • EINECS 208-293-9
  • EINECS 212-227-4
  • dehydroacetic-acid
  • DEHYDROACETIC ACID [II]
Show 31 more names
  • DEHYDROACETIC ACID [MI]
  • Dehydroacetic enol form
  • DEHYDROACETIC ACID [FCC]
  • DEHYDROACETIC ACID [HSDB]
  • Dehydroacetic Acid [USAN]
  • DEHYDROACETIC ACID [MART.]
  • DEHYDROACETIC ACID [USP-RS]
  • Kyselina dehydroacetova [Czech]
  • EPA Pesticide Chemical Code 027801
  • 2-Hydroxy-3-acetyl-6-methyl-4-pyrone
  • 3-acetyl-6-methyl-4-hydroxy-2-pyrone
  • 3-acetyl-6-methylpyran-2,4(3h)-dione
  • 3-acetyl-4-hydroxy-6-methylpyran-2-one
  • 3-Acetyl-6-methyl-4-hydroxypyran-2-one
  • 3-acetyl-2-hydroxy-6-methyl-pyran-4-one
  • 3-Acetyl-4-hydroxy-6-methyl-pyran-2-one
  • 3-acetyl-2-hydroxy-6-methyl-4H-pyran-4-one
  • 3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one
  • 3-acetyl-4-hydroxy-6-methyl-2H -pyran-2-one
  • 2H-Pyran-2-one, 3-acetyl-4-hydroxy-6-methyl-
  • 3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one #
  • 4-17-00-06699 (Beilstein Handbook Reference)
  • 4H-Pyran-4-one, 3-acetyl-2-hydroxy-6-methyl-
  • 3-acetyl-6-methyl-3,4-dihydro-2H-2,4-pyrandione
  • 3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione, ion(1-),
  • 3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione. enol form
  • 2-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid, delta-lactone
  • 3-(1-Hydroxyethylidene)-6-methyl-2H-pyran-2,4(3H)-dione
  • 4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, delta-lactone
  • (Z)-3-(1-hydroxyethylidene)-6-methyl-2H-pyran-2,4(3H)-dione
  • (3E)-3-(1-Hydroxyethylidene)-6-methyl-2H-pyran-2,4(3H)-dione

Frequently asked questions

What is the CAS number of 3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one?

The CAS Registry Number for 3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one is 771-03-9.

What is the IUPAC name of 3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one?

The IUPAC name of 3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one is 3-acetyl-4-hydroxy-6-methylpyran-2-one.

What is the molecular formula of 3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one?

3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol.

What is the SMILES notation for 3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one?

The SMILES notation for 3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one is CC1=CC(=C(C(=O)O1)C(=O)C)O.

What is the melting point of 3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one?

The melting point of 3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one is 109 °C.

What are other names for 3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one?

3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one is also known as (3E)-3-(1-Hydroxyethylidene)-6-methyl-2H-pyran-2,4(3H)-dione, (Z)-3-(1-hydroxyethylidene)-6-methyl-2H-pyran-2,4(3H)-dione, 2-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid, delta-lactone, 2-Hydroxy-3-acetyl-6-methyl-4-pyrone, 2H-Pyran-2-one, 3-acetyl-4-hydroxy-6-methyl-.

Data sourced from PubChem CID 54678494. Last updated .

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