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Home > Pyridines > 1955561-92-8
1955561-92-8 | octahydro-1H-pyrrolo[3,4-b]pyridin-5-one hydrochloride
CAS No: 1955561-92-8 Catalog No: AG01BCXG MDL No:MFCD28012340
Product Description
Catalog Number:
AG01BCXG
Chemical Name:
octahydro-1H-pyrrolo[3,4-b]pyridin-5-one hydrochloride
CAS Number:
1955561-92-8
Molecular Formula:
C7H13ClN2O
Molecular Weight:
176.6439
MDL Number:
MFCD28012340
IUPAC Name:
1,2,3,4,4a,6,7,7a-octahydropyrrolo[3,4-b]pyridin-5-one;hydrochloride
InChI:
InChI=1S/C7H12N2O.ClH/c10-7-5-2-1-3-8-6(5)4-9-7;/h5-6,8H,1-4H2,(H,9,10);1H
InChI Key:
CDBNEYRYSFWIMZ-UHFFFAOYSA-N
SMILES:
O=C1NCC2C1CCCN2.Cl
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.072g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
176.644g/mol
Monoisotopic Mass:
176.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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