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115995-27-2 | Benzonitrile, 4-[2-(4-hydroxyphenyl)-2-oxoacetyl]-
CAS No: 115995-27-2 Catalog No: AG000HE2 MDL No:
Product Description
Catalog Number:
AG000HE2
Chemical Name:
Benzonitrile, 4-[2-(4-hydroxyphenyl)-2-oxoacetyl]-
CAS Number:
115995-27-2
Molecular Formula:
C15H9NO3
Molecular Weight:
251.2369
IUPAC Name:
4-[2-(4-hydroxyphenyl)-2-oxoacetyl]benzonitrile
InChI:
InChI=1S/C15H9NO3/c16-9-10-1-3-11(4-2-10)14(18)15(19)12-5-7-13(17)8-6-12/h1-8,17H
InChI Key:
FRFLVYFBIVOBAR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=O)C(=O)c1ccc(cc1)O
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.058g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.241g/mol
Monoisotopic Mass:
251.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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