COC(=O)C1CCCC1
CAS: 4630-80-2
Nom: methyl cyclopentanecarboxylate
SMILES: COC(=O)C1CCCC1

Molecular Processing

Molecular formula
C7H12O2
Molecular weight
128.17
Exact mass
128.0837
XLogP
1.35
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
33.97

Supplementary Information

InChIKey: IIHIJFJSXPDTNO-UHFFFAOYSA-N
Synonymes
Methyl cyclopentanecarboxylate4630-80-2Cyclopentanecarboxylic acid, methyl esterAI3-03917EINECS 225-049-7DTXSID50196806NSC 87553RefChem:817697DTXCID50119297225-049-7cyclopentanecarboxylic acid methyl esterMFCD00019290Cyclopentanoic acid methyl esterJ9UB5SWZ2Rmethyl cyclopentane carboxylateNSC-87553RARECHEM AL BF 0721methyl cyclopentanoateUNII-J9UB5SWZ2RMethylcyclopentanecarboxylatemethylcyclopentane carboxylateSCHEMBL17566SCHEMBL305004SCHEMBL385399SCHEMBL4982031-(Methoxycarbonyl)cyclopentanemethyl-1-cyclopentanecarboxylateSCHEMBL7523174SCHEMBL17889899ALBB-016165
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→