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27645-61-0 | Benzonitrile, 4-(4-hydroxybenzoyl)-
CAS No: 27645-61-0 Catalog No: AG002UBU MDL No:
Product Description
Catalog Number:
AG002UBU
Chemical Name:
Benzonitrile, 4-(4-hydroxybenzoyl)-
CAS Number:
27645-61-0
Molecular Formula:
C14H9NO2
Molecular Weight:
223.2268
IUPAC Name:
4-(4-hydroxybenzoyl)benzonitrile
InChI:
InChI=1S/C14H9NO2/c15-9-10-1-3-11(4-2-10)14(17)12-5-7-13(16)8-6-12/h1-8,16H
InChI Key:
CZYTUQCWOMSDFL-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=O)c1ccc(cc1)O
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.231g/mol
Monoisotopic Mass:
223.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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