Basic information
- CAS
13428-06-3- Standard SMILES
N#Cc1cccc(C(O)c2ccccc2)c1- InChIKey
BIWIUOMRUCYPSI-UHFFFAOYSA-N- Molecular formula
- C14H11NO
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.08406397
Names & identifiers
- Preferred name
- 3-[Hydroxy(phenyl)methyl]benzonitrile
- IUPAC
- 3-[hydroxy(phenyl)methyl]benzonitrile
- English name
- Benzonitrile, 3-(hydroxyphenylmethyl)-
- Molecular formula
- C14H11NO
- Molecular weight
- 209.24324
Names & synonyms
13428-06-3Benzonitrile, 3-(hydroxyphenylmethyl)-3-[Hydroxy(phenyl)methyl]benzonitrile3-(hydroxy(phenyl)methyl)benzonitrile3-cyanobenzhydrolSCHEMBL1507787SCHEMBL30961611DTXSID30597276MFCD24217343
Database identifiers
- CAS
13428-06-3- PubChem CID
- 19003636
- DTXSID
DTXSID30597276- Nikkaji
- J2.805.923J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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