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102629-92-5 | Propanenitrile, 2-hydroxy-3-(phenylmethoxy)-
CAS No: 102629-92-5 Catalog No: AG0007Z9 MDL No:
Product Description
Catalog Number:
AG0007Z9
Chemical Name:
Propanenitrile, 2-hydroxy-3-(phenylmethoxy)-
CAS Number:
102629-92-5
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
IUPAC Name:
2-hydroxy-3-phenylmethoxypropanenitrile
InChI:
InChI=1S/C10H11NO2/c11-6-10(12)8-13-7-9-4-2-1-3-5-9/h1-5,10,12H,7-8H2
InChI Key:
GYIQKOCXLVJCMS-UHFFFAOYSA-N
SMILES:
OC(C#N)COCc1ccccc1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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