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Home > Pyridines > 1083223-83-9
1083223-83-9 | OCTAHYDRO-1H-PYRROLO[3,4-C]PYRIDIN-3-ONE
CAS No: 1083223-83-9 Catalog No: AG01BTBQ MDL No:MFCD24496372
Product Description
Catalog Number:
AG01BTBQ
Chemical Name:
OCTAHYDRO-1H-PYRROLO[3,4-C]PYRIDIN-3-ONE
CAS Number:
1083223-83-9
MDL Number:
MFCD24496372
IUPAC Name:
1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-3-one
InChI:
InChI=1S/C7H12N2O/c10-7-6-4-8-2-1-5(6)3-9-7/h5-6,8H,1-4H2,(H,9,10)
InChI Key:
SXNMNJGBKPGDPH-UHFFFAOYSA-N
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
140.186g/mol
Monoisotopic Mass:
140.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
Literature
| Title | Journal |
|---|---|
| (3aS,7aS)-5-[(S)-3,3,3-Trifluoro-2-meth-oxy-2-phenyl-propano-yl]-2,3,4,5,6,7-hexa-hydro-1H-pyrrolo[3,4-c]pyridin-3(2H)-one monohydrate. | Acta crystallographica. Section E, Structure reports online 20100101 |
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