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252061-78-2 | 1(2H)-Isoquinolinone, 6-hydroxy-
CAS No: 252061-78-2 Catalog No: AG002QXI MDL No:MFCD12405871
Product Description
Catalog Number:
AG002QXI
Chemical Name:
1(2H)-Isoquinolinone, 6-hydroxy-
CAS Number:
252061-78-2
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD12405871
IUPAC Name:
6-hydroxy-2H-isoquinolin-1-one
InChI:
InChI=1S/C9H7NO2/c11-7-1-2-8-6(5-7)3-4-10-9(8)12/h1-5,11H,(H,10,12)
InChI Key:
GCJZYOIXXVVQKC-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)cc[nH]c2=O
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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