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23206-20-4 | 1(2H)-Isoquinolinone, 3,4-dihydro-4-hydroxy-
CAS No: 23206-20-4 Catalog No: AG002MIH MDL No:
Product Description
Catalog Number:
AG002MIH
Chemical Name:
1(2H)-Isoquinolinone, 3,4-dihydro-4-hydroxy-
CAS Number:
23206-20-4
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
IUPAC Name:
4-hydroxy-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C9H9NO2/c11-8-5-10-9(12)7-4-2-1-3-6(7)8/h1-4,8,11H,5H2,(H,10,12)
InChI Key:
UZFDGRLSVITWJL-UHFFFAOYSA-N
SMILES:
O=C1NCC(c2c1cccc2)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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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