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3-Phenoxybenzaldehyde Cyanohydrin

CAT: 1596-AR-C03764-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C03764-01Size:10 Units
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CAS Number
39515-47-4
Synonyms
2-hydroxy-2- (3-phenoxyphenyl) acetonitrile; (RS) -?-Cyano-3-phenoxybenzyl Alcohol; (m-Phenoxyphenyl) glycolonitrile; (±) -?-Cyano-3-phenoxybenzyl Alcohol; 3-Phenoxy-?-cyanobenzyl Alcohol; 3-Phenoxybenzaldehyde Cyanohydrin; 3-Phenoxymandelonitrile; m-Phenoxybenzaldehyde Cyanohydrin; m-Phenoxymandelonitrile; ?-Cyano-3-phenoxybenzyl Alcohol; ?-Cyano-m-phenoxybenzyl Alcohol
Molecular Formula
C14H11NO2
Molecular Weight
225.25
API Name
Cyanohydrin

Chemical Information

Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaS)-
CAS Number39515-47-4
PubChem CID93218
IUPAC Name2-hydroxy-2-(3-phenoxyphenyl)acetonitrile
Molecular FormulaC14H11NO2
Molecular Weight225.24
XLogP2.6
Topological Polar Surface Area53.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity277
SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)C(C#N)O
InChI
InChI=1S/C14H11NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9,14,16H
InChIKey
GXUQMKBQDGPMKZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaS)-
CAS: 39515-47-4
CID: 93218
Formula: C14H11NO2
MW: 225.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight225.24
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass225.078978594
Monoisotopic Mass225.078978594
Topological Polar Surface Area53.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity277
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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