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59647-24-4 | 7-hydroxyisoquinolin-1(2H)-one
CAS No: 59647-24-4 Catalog No: AG00F2A1 MDL No:MFCD12024481
Product Description
Catalog Number:
AG00F2A1
Chemical Name:
7-hydroxyisoquinolin-1(2H)-one
CAS Number:
59647-24-4
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD12024481
IUPAC Name:
7-hydroxy-2H-isoquinolin-1-one
InChI:
InChI=1S/C9H7NO2/c11-7-2-1-6-3-4-10-9(12)8(6)5-7/h1-5,11H,(H,10,12)
InChI Key:
JCSSLGUHFFFJRW-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)c(=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
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