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89638-55-1 | Benzonitrile, 3-benzoyl-2-hydroxy-5,6-dimethyl-
CAS No: 89638-55-1 Catalog No: AG003WI0 MDL No:
Product Description
Catalog Number:
AG003WI0
Chemical Name:
Benzonitrile, 3-benzoyl-2-hydroxy-5,6-dimethyl-
CAS Number:
89638-55-1
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
3-benzoyl-2-hydroxy-5,6-dimethylbenzonitrile
InChI:
InChI=1S/C16H13NO2/c1-10-8-13(16(19)14(9-17)11(10)2)15(18)12-6-4-3-5-7-12/h3-8,19H,1-2H3
InChI Key:
LHBQDICNOPDVDC-UHFFFAOYSA-N
SMILES:
N#Cc1c(O)c(cc(c1C)C)C(=O)c1ccccc1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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