Ethyl 6-cyanohexanoate

HCID 24976

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Basic information

CAS: 10137-65-2
Standard SMILES: CCOC(=O)CCCCCC#N
InChIKey: WPGIMPZMPWRYAI-UHFFFAOYSA-N
Molecular formula: C9H15NO2
Average molar mass: 169.22 g/mol
Monoisotopic mass: 169.11027872

Names & identifiers

Preferred name: Ethyl 6-cyanohexanoate
IUPAC: ethyl 6-cyanohexanoate
English name: 6-Cyanohexanoic acid ethyl ester
Molecular formula: C9H15NO2
Molecular weight: 169.22

Names & synonyms

Ethyl 6-cyanohexanoate6-Cyanohexanoic acid, ethyl esterHEXANOIC ACID, 6-CYANO-, ETHYL ESTERNSC 92771BRN 1762711UNII-1A0611B745NSC-927711A0611B745DTXSID50143875RefChem:200861DTXCID10663664-02-00-02006 (Beilstein Handbook Reference)

Show more names

10137-65-26-Cyanohexanoic acid ethyl esterWLN: NC5VO2SCHEMBL8657397WPGIMPZMPWRYAI-UHFFFAOYSA-NNSC92771AKOS013618136Q27252139

Database identifiers

CAS: 10137-65-2
PubChem CID: 24976
DTXSID: DTXSID50143875
UNII: 1A0611B745
Nikkaji: J49.411I

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 50.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 12
Formal charge: 0
Complexity: 169

Physicochemical properties

FDA UNII: 1 A0611B745 · 1A0611B745

Related reactions

1 records

New reaction record

HRID 1940625As reactantuspto-grants-1997_12

Compound notes

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