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189439-24-5 | Benzonitrile, 2-hydroxy-4-(phenylmethoxy)-
CAS No: 189439-24-5 Catalog No: AG002DO9 MDL No:MFCD20534926
Product Description
Catalog Number:
AG002DO9
Chemical Name:
Benzonitrile, 2-hydroxy-4-(phenylmethoxy)-
CAS Number:
189439-24-5
Molecular Formula:
C14H11NO2
Molecular Weight:
225.2426
MDL Number:
MFCD20534926
IUPAC Name:
2-hydroxy-4-phenylmethoxybenzonitrile
InChI:
InChI=1S/C14H11NO2/c15-9-12-6-7-13(8-14(12)16)17-10-11-4-2-1-3-5-11/h1-8,16H,10H2
InChI Key:
SZVJDJBGNPQFKF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1O)OCc1ccccc1
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.247g/mol
Monoisotopic Mass:
225.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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