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1179347-23-9 | 4-hydroxy-6-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile
CAS No: 1179347-23-9 Catalog No: AG00IKV9 MDL No:
Product Description
Catalog Number:
AG00IKV9
Chemical Name:
4-hydroxy-6-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile
CAS Number:
1179347-23-9
Molecular Formula:
C22H14N2O3
Molecular Weight:
354.3582
IUPAC Name:
4-hydroxy-6-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C22H14N2O3/c23-12-18-21(26)17-11-15(9-10-19(17)24-22(18)27)13-5-7-14(8-6-13)16-3-1-2-4-20(16)25/h1-11,25H,(H2,24,26,27)
InChI Key:
LXTNNPFHINYWLL-UHFFFAOYSA-N
SMILES:
N#Cc1c(=O)[nH]c2c(c1O)cc(cc2)c1ccc(cc1)c1ccccc1O
Properties
Complexity:
656
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.1g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
354.365g/mol
Monoisotopic Mass:
354.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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