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3-(3-Oxo-cyclohexyl)-propionic acid ethyl ester

HCID 10856445
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)CCC1CCCC(=O)C1
InChIKey
CPVMRWMCDFCQMZ-UHFFFAOYSA-N
Molecular formula
C11H18O3
Average molar mass
198.26 g/mol
Monoisotopic mass
198.12559443

Names & identifiers

Preferred name
3-(3-Oxo-cyclohexyl)-propionic acid ethyl ester
IUPAC
ethyl 3-(3-oxocyclohexyl)propanoate

Names & synonyms

SCHEMBL6421923CPVMRWMCDFCQMZ-UHFFFAOYSA-N3-(3-oxo-cyclohexyl)-propionic acid ethyl ester

Database identifiers

PubChem CID
10856445
Nikkaji
J991.211H

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
14
Formal charge
0
Complexity
211

Related reactions

3 records
New reaction record
HRID 379245 reaction equation
HRID 379245As reactantuspto-grants-2001_10
HRID 1004265 reaction equation
HRID 1004265As reactantuspto-grants-2000_04
HRID 1837902 reaction equation
HRID 1837902As reactantuspto-grants-2004_08

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes