Cyclobutanecarboxylic acid, 3-ethyl-

HCID 47796

Notes Reactions

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Basic information

CAS: 66016-16-8
Standard SMILES: CCC1CC(C(=O)O)C1
InChIKey: KHJZSHCMTBYQFG-UHFFFAOYSA-N
Molecular formula: C7H12O2
Average molar mass: 128.17 g/mol
Monoisotopic mass: 128.08372962

Names & identifiers

Preferred name: Cyclobutanecarboxylic acid, 3-ethyl-
IUPAC: 3-ethylcyclobutane-1-carboxylic acid
English name: 3-Ethylcyclobutanecarboxylic acid
Molecular formula: C7H12O2
Molecular weight: 128.17

Names & synonyms

66016-16-83-Ethyl-cyclobutanecarboxylic acidCYCLOBUTANECARBOXYLIC ACID, 3-ETHYL-DTXSID20216222RefChem:334931DTXCID201387133-Ethylcyclobutanecarboxylic acid3-ethylcyclobutane-1-carboxylic acidMFCD017342063-Ethylcyclobutanecarboxylicacid3-ethylcyclobutanecarboxlic acidSCHEMBL3147397

Show more names

SCHEMBL3147401SCHEMBL12425834KHJZSHCMTBYQFG-UHFFFAOYSA-NRCA01616AKOS006275953AKOS006387244AKOS006387245AS-30260

Database identifiers

CAS: 66016-16-8
PubChem CID: 47796
DTXSID: DTXSID20216222
EC Number: 885-964-8
Nikkaji: J57.861D

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 114

Physicochemical properties

storage temp.: Store at Room Tem.
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501