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1061995-26-3 | 9-methyl-1H,2H,3H,3aH,4H,9H,9aH-pyrrolo[3,4-b]quinolin-1-one
CAS No: 1061995-26-3 Catalog No: AG019Y8P MDL No:MFCD27920402
Product Description
Catalog Number:
AG019Y8P
Chemical Name:
9-methyl-1H,2H,3H,3aH,4H,9H,9aH-pyrrolo[3,4-b]quinolin-1-one
CAS Number:
1061995-26-3
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
MDL Number:
MFCD27920402
IUPAC Name:
9-methyl-2,3,3a,4,9,9a-hexahydropyrrolo[3,4-b]quinolin-1-one
InChI:
InChI=1S/C12H14N2O/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)
InChI Key:
VWIRWASLWCIGMZ-UHFFFAOYSA-N
SMILES:
O=C1NCC2C1C(C)c1c(N2)cccc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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