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1212425-15-4 | 9-methyl-1H,2H,3H,3aH,4H,9H,9aH-pyrrolo[3,4-b]quinolin-1-one hydrochloride
CAS No: 1212425-15-4 Catalog No: AG019W12 MDL No:MFCD12912803
Product Description
Catalog Number:
AG019W12
Chemical Name:
9-methyl-1H,2H,3H,3aH,4H,9H,9aH-pyrrolo[3,4-b]quinolin-1-one hydrochloride
CAS Number:
1212425-15-4
Molecular Formula:
C12H15ClN2O
Molecular Weight:
238.7133
MDL Number:
MFCD12912803
IUPAC Name:
9-methyl-2,3,3a,4,9,9a-hexahydropyrrolo[3,4-b]quinolin-1-one;hydrochloride
InChI:
InChI=1S/C12H14N2O.ClH/c1-7-8-4-2-3-5-9(8)14-10-6-13-12(15)11(7)10;/h2-5,7,10-11,14H,6H2,1H3,(H,13,15);1H
InChI Key:
LQRMRYXOQVRWLT-UHFFFAOYSA-N
SMILES:
O=C1NCC2C1C(C)c1c(N2)cccc1.Cl
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
238.715g/mol
Monoisotopic Mass:
238.087g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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