CCOC(=O)C1CCCCC1=O
CAS: 1655-07-8
Name: ethyl 2-oxocyclohexane-1-carboxylate
SMILES: CCOC(=O)C1CCCCC1=O

Molecular Processing

Molecular formula
C9H14O3
Molecular weight
170.21
Exact mass
170.0943
XLogP
1.31
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
43.6

Supplementary Information

InChIKey: FGSGHBPKHFDJOP-UHFFFAOYSA-N
Synonyms
Ethyl 2-oxocyclohexanecarboxylateCyclohexanecarboxylic acid, 2-oxo-, ethyl ester2-CarbethoxycyclohexanoneEthyl 2-cyclohexanonecarboxylateEthyl cyclohexanone-2-carboxylate2-(Ethoxycarbonyl)cyclohexanone2-Oxocyclohexanecarboxylic acid ethyl ester2-Cyclohexanonecarboxylic acid ethyl esterEthyl 1-oxo-2-cyclohexanecarboxylateEthyl 2-oxo-1-cyclohexanecarboxylateEthyl 2-oxocylohexanecarboxylateEthyl 2-oxylcyclohexanecarboxylic2-Carbethoxy cyclohexanoneUNII-8V73BMH08ZNSC 187448V73BMH08ZEthyl 2-cyclohexanone-1-carboxylateEINECS 216-731-5NSC-18744AI3-04506Cyclohexanone-2-carboxylic acid ethyl esterDTXSID70883706EC 216-731-5RefChem:138630DTXCID701023204ETHYL 2-OXOCYCLOHEXANECARBOXYLATE, (+-)-216-731-5FGSGHBPKHFDJOP-UHFFFAOYSA-N1655-07-8ethyl 2-oxocyclohexane-1-carboxylate
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