(4-Benzoylphenyl)(hydroxy)acetonitrile

HCID 20041627
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Basic information

CAS
81449-04-9
Standard SMILES
N#CC(O)c1ccc(C(=O)c2ccccc2)cc1
InChIKey
ANQCQOSZVMCBEP-UHFFFAOYSA-N
Molecular formula
C15H11NO2
Average molar mass
237.25 g/mol
Monoisotopic mass
237.07897859

Names & identifiers

Preferred name
(4-Benzoylphenyl)(hydroxy)acetonitrile
IUPAC
2-(4-benzoylphenyl)-2-hydroxyacetonitrile

Names & synonyms

SCHEMBL10548829ANQCQOSZVMCBEP-UHFFFAOYSA-NDTXSID501284317(4-Benzoylphenyl)(hydroxy)acetonitrile(RS) cyano-(4-benzoyl-phenyl)-methanol81449-04-94-Benzoyl-I+/--hydroxybenzeneacetonitrile

Database identifiers

CAS
81449-04-9
PubChem CID
20041627
DTXSID
DTXSID501284317

Properties

Computed structural propertiesFilling in

XLogP
2.4
Topological polar surface area
61.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
18

Related reactions

1 records
New reaction record

Compound notes

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