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22246-05-5 | 7-HYDROXY-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE
CAS No: 22246-05-5 Catalog No: AG00BCV7 MDL No:MFCD04114872
Product Description
Catalog Number:
AG00BCV7
Chemical Name:
7-HYDROXY-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE
CAS Number:
22246-05-5
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD04114872
IUPAC Name:
7-hydroxy-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C9H9NO2/c11-7-2-1-6-3-4-10-9(12)8(6)5-7/h1-2,5,11H,3-4H2,(H,10,12)
InChI Key:
CZORCICKCUXXCZ-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)C(=O)NCC2
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:
0.9
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