Oxetane-3-carboxylic acid

CAS 114012-41-8 C4H6O3

Oxetane-3-carboxylic acid (CAS 114012-41-8) is a chemical compound with molecular formula C4H6O3 and molecular weight 102.09 g/mol . GHS signal word: Danger. Hazard classifications: Corrosive, Health Hazard.

What is Oxetane-3-carboxylic acid?

Molecular Formula
C4H6O3
Molecular Weight
102.09 g/mol

Structure Identifiers

SMILES
C1C(CO1)C(=O)O
InChI
InChI=1S/C4H6O3/c5-4(6)3-1-7-2-3/h3H,1-2H2,(H,5,6)
InChIKey
UWOTZNQZPLAURK-UHFFFAOYSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
102.0317 Da
XLogP
-0.60
TPSA
46.5 Ų
H-Bond Donors
1
H-Bond Acceptors
3
Complexity
85
Formal Charge
0

Safety information

Signal Word

Danger

GHS Pictograms

GHS pictogram: Corrosive GHS05
GHS pictogram: Health Hazard GHS07

Hazard Statements

  • H302 Harmful if swallowed

Precautionary Statements

  • P264 Wash thoroughly after handling
  • P270 Do not eat, drink or smoke when using this product
  • P280 Wear protective gloves/protective clothing/eye protection/face protection
  • P330 Rinse mouth
  • P501 Dispose of contents/container to an approved waste disposal plant

Synonyms (20)

  • F050554
  • PB18896
  • CS-B1344
  • DS-13774
  • SY008837
  • 806-037-6
  • F0001-0281
  • 114012-41-8
  • EN300-82102
  • MFCD08669505
  • AKOS006282957
  • SCHEMBL695096
  • DTXCID00551325
  • DTXSID80600567
  • RefChem:367372
  • SCHEMBL15902275
  • 3-OXETANECARBOXYLIC ACID
  • Oxetane-3-carboxylicacid
  • oxetane-3-carboxylic acid
  • UWOTZNQZPLAURK-UHFFFAOYSA-N

Frequently asked questions

What is the CAS number of Oxetane-3-carboxylic acid?

The CAS Registry Number for Oxetane-3-carboxylic acid is 114012-41-8.

What is the molecular formula of Oxetane-3-carboxylic acid?

Oxetane-3-carboxylic acid has the molecular formula C4H6O3 and a molecular weight of 102.09 g/mol.

What is the SMILES notation for Oxetane-3-carboxylic acid?

The SMILES notation for Oxetane-3-carboxylic acid is C1C(CO1)C(=O)O.

Is Oxetane-3-carboxylic acid hazardous?

Oxetane-3-carboxylic acid carries the following GHS hazard classifications: Corrosive, Health Hazard. Signal word: Danger.

What are other names for Oxetane-3-carboxylic acid?

Oxetane-3-carboxylic acid is also known as 114012-41-8, 3-OXETANECARBOXYLIC ACID, 806-037-6, AKOS006282957, CS-B1344.

Data sourced from PubChem CID 19847174. Last updated .

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