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42792-98-3 | 1(2H)-Isoquinolinone,5-hydroxy-2-methyl-(9CI)
CAS No: 42792-98-3 Catalog No: AG00CXIM MDL No:MFCD11986505
Product Description
Catalog Number:
AG00CXIM
Chemical Name:
1(2H)-Isoquinolinone,5-hydroxy-2-methyl-(9CI)
CAS Number:
42792-98-3
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD11986505
IUPAC Name:
5-hydroxy-2-methylisoquinolin-1-one
InChI:
InChI=1S/C10H9NO2/c1-11-6-5-7-8(10(11)13)3-2-4-9(7)12/h2-6,12H,1H3
InChI Key:
GFKCIDMEXINYQD-UHFFFAOYSA-N
SMILES:
Cn1ccc2c(c1=O)cccc2O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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