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116204-22-9 | 2-Oxiranecarbonitrile, 2-(hydroxymethyl)-3-phenyl-
CAS No: 116204-22-9 Catalog No: AG000BWH MDL No:
Product Description
Catalog Number:
AG000BWH
Chemical Name:
2-Oxiranecarbonitrile, 2-(hydroxymethyl)-3-phenyl-
CAS Number:
116204-22-9
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
IUPAC Name:
2-(hydroxymethyl)-3-phenyloxirane-2-carbonitrile
InChI:
InChI=1S/C10H9NO2/c11-6-10(7-12)9(13-10)8-4-2-1-3-5-8/h1-5,9,12H,7H2
InChI Key:
DVKLWNZRYNVLMU-UHFFFAOYSA-N
SMILES:
OCC1(OC1c1ccccc1)C#N
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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