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14714-50-2 | Benzeneacetonitrile, 2-hydroxy-
CAS No: 14714-50-2 Catalog No: AG001ENN MDL No:MFCD00128130
Product Description
Catalog Number:
AG001ENN
Chemical Name:
Benzeneacetonitrile, 2-hydroxy-
CAS Number:
14714-50-2
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
MDL Number:
MFCD00128130
IUPAC Name:
2-(2-hydroxyphenyl)acetonitrile
InChI:
InChI=1S/C8H7NO/c9-6-5-7-3-1-2-4-8(7)10/h1-4,10H,5H2
InChI Key:
WMWRBGOAZXDIDN-UHFFFAOYSA-N
SMILES:
N#CCc1ccccc1O
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
133.15g/mol
Monoisotopic Mass:
133.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Study of the interaction in clusters formed by phenol and CH3X (X=CN,F,Cl) molecules. | The Journal of chemical physics 20080521 |
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