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53389-81-4 | 1,4-Dihydro-7-hydroxy-3(2H)-isoquinolinone
CAS No: 53389-81-4 Catalog No: AG00DF5Y MDL No:MFCD18803081
Product Description
Catalog Number:
AG00DF5Y
Chemical Name:
1,4-Dihydro-7-hydroxy-3(2H)-isoquinolinone
CAS Number:
53389-81-4
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD18803081
IUPAC Name:
7-hydroxy-2,4-dihydro-1H-isoquinolin-3-one
InChI:
InChI=1S/C9H9NO2/c11-8-2-1-6-4-9(12)10-5-7(6)3-8/h1-3,11H,4-5H2,(H,10,12)
InChI Key:
VMFLZARQIWIXNH-UHFFFAOYSA-N
SMILES:
O=C1NCc2c(C1)ccc(c2)O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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