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653598-67-5 | 4H-Pyrrolo[3,4-c]quinolin-4-one, 1,2,3,3a,5,9b-hexahydro-,(3aR,9bS)-rel-
CAS No: 653598-67-5 Catalog No: AG00IBHJ MDL No:MFCD20231054
Product Description
Catalog Number:
AG00IBHJ
Chemical Name:
4H-Pyrrolo[3,4-c]quinolin-4-one, 1,2,3,3a,5,9b-hexahydro-,(3aR,9bS)-rel-
CAS Number:
653598-67-5
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
MDL Number:
MFCD20231054
IUPAC Name:
(3aS,9bR)-1,2,3,3a,5,9b-hexahydropyrrolo[3,4-c]quinolin-4-one
InChI:
InChI=1S/C11H12N2O/c14-11-9-6-12-5-8(9)7-3-1-2-4-10(7)13-11/h1-4,8-9,12H,5-6H2,(H,13,14)/t8-,9+/m0/s1
InChI Key:
SVVRUBYEHXZLPQ-DTWKUNHWSA-N
SMILES:
O=C1Nc2ccccc2[C@@H]2[C@@H]1CNC2
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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