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Structure

Ethyl gamma-cyano-gamma-methylbenzenebutyrate

CAS
2572-92-1
Catalog Number
ACM2572921
Category
Other Products
Molecular Weight
231.29 g/mol
Molecular Formula
C14H17NO2

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Specification

Synonyms
MolPort-001-793-197, NSC163289, CID99001, EINECS 219-921-6, Ethyl gamma-cyano-gamma-methylbenzenebutyrate, 2572-92-1
IUPAC Name
ethyl 4-cyano-4-phenylpentanoate
Canonical SMILES
CCOC(=O)CCC(C)(C#N)C1=CC=CC=C1
InChI Key
PNOOWJWGNVEQPV-UHFFFAOYSA-N
Boiling Point
365ºC at 760mmHg
Flash Point
175.3ºC
Density
1.056g/cm³
EC Number
219-921-6
Exact Mass
231.12600
H-Bond Acceptor
3
H-Bond Donor
0
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