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Home > Quinoline > 1196157-36-4
1196157-36-4 | 4(1H)-Isoquinolinone, 2,3-dihydro-, hydrochloride (1:1)
CAS No: 1196157-36-4 Catalog No: AG000PDA MDL No:MFCD13176561
Product Description
Catalog Number:
AG000PDA
Chemical Name:
4(1H)-Isoquinolinone, 2,3-dihydro-, hydrochloride (1:1)
CAS Number:
1196157-36-4
Molecular Formula:
C9H10ClNO
Molecular Weight:
183.6348
MDL Number:
MFCD13176561
IUPAC Name:
2,3-dihydro-1H-isoquinolin-4-one;hydrochloride
InChI:
InChI=1S/C9H9NO.ClH/c11-9-6-10-5-7-3-1-2-4-8(7)9;/h1-4,10H,5-6H2;1H
InChI Key:
VNCCUBVUYXYGLR-UHFFFAOYSA-N
SMILES:
O=C1CNCc2c1cccc2.Cl
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.045g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.635g/mol
Monoisotopic Mass:
183.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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