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Home > Pyridines > 1391926-56-9
1391926-56-9 | octahydro-1H-pyrrolo[3,4-c]pyridin-1-one
CAS No: 1391926-56-9 Catalog No: AG00HVGZ MDL No:MFCD24506785
Product Description
Catalog Number:
AG00HVGZ
Chemical Name:
octahydro-1H-pyrrolo[3,4-c]pyridin-1-one
CAS Number:
1391926-56-9
Molecular Formula:
C7H12N2O
Molecular Weight:
140.1830
MDL Number:
MFCD24506785
IUPAC Name:
2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-1-one
InChI:
InChI=1S/C7H12N2O/c10-7-6-1-2-8-3-5(6)4-9-7/h5-6,8H,1-4H2,(H,9,10)
InChI Key:
XLHNWTSCXPCOMK-UHFFFAOYSA-N
SMILES:
O=C1NCC2C1CCNC2
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
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