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129075-52-1 | 1(2H)-Isoquinolinone, 5-amino-3,4-dihydro-, hydrochloride (1:1)
CAS No: 129075-52-1 Catalog No: AG000YT8 MDL No:MFCD08234587
Product Description
Catalog Number:
AG000YT8
Chemical Name:
1(2H)-Isoquinolinone, 5-amino-3,4-dihydro-, hydrochloride (1:1)
CAS Number:
129075-52-1
Molecular Formula:
C9H11ClN2O
Molecular Weight:
198.6494
MDL Number:
MFCD08234587
IUPAC Name:
5-amino-3,4-dihydro-2H-isoquinolin-1-one;hydrochloride
InChI:
InChI=1S/C9H10N2O.ClH/c10-8-3-1-2-7-6(8)4-5-11-9(7)12;/h1-3H,4-5,10H2,(H,11,12);1H
InChI Key:
OJFDXKROTLNGGX-UHFFFAOYSA-N
SMILES:
O=C1NCCc2c1cccc2N.Cl
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
198.65g/mol
Monoisotopic Mass:
198.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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