CAS 30680-84-3 Cyclopentanecarboxylic acid, 1-methyl-2-oxo-, methyl ester (HCID 121785)

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Basic information

CAS: 30680-84-3
Standard SMILES: COC(=O)C1(C)CCCC1=O
InChIKey: TZHZMYGNHVTEFA-UHFFFAOYSA-N
Molecular formula: C8H12O3
Average molar mass: 156.18 g/mol
Monoisotopic mass: 156.07864424

Names & identifiers

Preferred name: Cyclopentanecarboxylic acid, 1-methyl-2-oxo-, methyl ester
IUPAC: methyl 1-methyl-2-oxocyclopentane-1-carboxylate
English name: methyl 1-methyl-2-oxocyclopentanecarboxylate
Molecular formula: C8H12O3
Molecular weight: 156.18

Names & synonyms

30680-84-3Cyclopentanecarboxylic acid, 1-methyl-2-oxo-, methyl esterEINECS 250-287-3DTXSID30885483NSC 266083RefChem:129855DTXCID601024859Methyl 1-methyl-2-oxocyclopentanecarboxylatemethyl 1-methyl-2-oxocyclopentane-1-carboxylate2-Methyl-2-carbomethoxycyclopentanoneCyclopentanecarboxylic acid, 1-methyl-2-oxo-, methyl ester, (1R)- (9CI)methyl1-methyl-2-oxocyclopentanecarboxylate

Show more names

Loxoprofen Impurity 541-Methyl-2-oxocyclopentanecarboxylic acid methyl ester

MFCD062542391-Methyl-2-oxo-cyclopentanecarboxylic acid methyl esterLoxoprofen Impurity N11SCHEMBL5352623FBA68084NSC266083AKOS003587407AT21543

Database identifiers

CAS: 30680-84-3
PubChem CID: 121785
DTXSID: DTXSID30885483
EC Number: 250-287-3
Nikkaji

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 198

Physicochemical properties

Boiling point: 105 · 105-106 °C(Press: 15 Torr)
Density: 1.103 g/cm3 · 1.103 g/cm3(Temp: 0 °C)
EPA Substance Registry System: 1 · Cyclopentanecarboxylic acid, 1-methyl-2-oxo-, methyl ester (30680-84-3)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 280 · P280
TSCA: TSCA listed