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656234-20-7 | 1(2H)-Isoquinolinone, 5-hydroxy-4-(4-methylphenyl)-
CAS No: 656234-20-7 Catalog No: AG006QIR MDL No:
Product Description
Catalog Number:
AG006QIR
Chemical Name:
1(2H)-Isoquinolinone, 5-hydroxy-4-(4-methylphenyl)-
CAS Number:
656234-20-7
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
5-hydroxy-4-(4-methylphenyl)-2H-isoquinolin-1-one
InChI:
InChI=1S/C16H13NO2/c1-10-5-7-11(8-6-10)13-9-17-16(19)12-3-2-4-14(18)15(12)13/h2-9,18H,1H3,(H,17,19)
InChI Key:
QBFDFSFLZZMDSK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1c[nH]c(=O)c2c1c(O)ccc2
Properties
Complexity:
382
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:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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