Basic information
- CAS
32970-78-8- Standard SMILES
COc1ccc(CC(C#N)c2ccccc2)cc1- InChIKey
GNYOWWNROKVNEL-UHFFFAOYSA-N- Molecular formula
- C16H15NO
- Average molar mass
- 237.3 g/mol
- Monoisotopic mass
- 237.1153641
Overview
See also: 4-Methoxy-alpha-phenylhydrocinnamonitrile (annotation moved to).
Names & identifiers
- Preferred name
- 3-(4-Methoxyphenyl)-2-phenylpropanenitrile
- IUPAC
- 3-(4-methoxyphenyl)-2-phenylpropanenitrile
- English name
- 4-Methoxy-alpha-phenylhydrocinnamonitrile
- Molecular formula
- C16H15NO
- Molecular weight
- 237.3
Names & synonyms
3-(4-methoxyphenyl)-2-phenylpropanenitrile32970-78-8Propionitrile, 3-(p-methoxyphenyl)-2-phenyl-NSC81030SCHEMBL27293617DTXSID30292234NSC-81030AKOS0223118684-Methoxy-alpha-phenylhydrocinnamonitrileBenzenepropanenitrile, 4-methoxy-α-phenyl-
Database identifiers
- CAS
32970-78-8- PubChem CID
- 255461
- DTXSID
DTXSID30292234- Nikkaji
- J2.747.246J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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