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1344148-46-4 | 8-hydroxy-1,2-dihydroisoquinolin-1-one
CAS No: 1344148-46-4 Catalog No: AG00KSBE MDL No:MFCD22097488
Product Description
Catalog Number:
AG00KSBE
Chemical Name:
8-hydroxy-1,2-dihydroisoquinolin-1-one
CAS Number:
1344148-46-4
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD22097488
IUPAC Name:
8-hydroxy-2H-isoquinolin-1-one
InChI:
InChI=1S/C9H7NO2/c11-7-3-1-2-6-4-5-10-9(12)8(6)7/h1-5,11H,(H,10,12)
InChI Key:
OZRLOXHZXGCERL-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1c(=O)[nH]cc2
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:
1.5
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