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30081-72-2 | 4-hydroxy-2H-isoquinolin-1-one
CAS No: 30081-72-2 Catalog No: AG00C419 MDL No:MFCD01013785
Product Description
Catalog Number:
AG00C419
Chemical Name:
4-hydroxy-2H-isoquinolin-1-one
CAS Number:
30081-72-2
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD01013785
IUPAC Name:
4-hydroxy-2H-isoquinolin-1-one
InChI:
InChI=1S/C9H7NO2/c11-8-5-10-9(12)7-4-2-1-3-6(7)8/h1-5,11H,(H,10,12)
InChI Key:
KOJRWXLHYKLCFJ-UHFFFAOYSA-N
SMILES:
Oc1ncc(c2c1cccc2)O
Properties
Complexity:
235
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:
0.7
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