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Home > Pyridines > 1206186-91-5
1206186-91-5 | 5-methyl-octahydro-1H-pyrrolo[3,4-c]pyridine-1,3-dione
CAS No: 1206186-91-5 Catalog No: AG01C7ZM MDL No:MFCD29954066
Product Description
Catalog Number:
AG01C7ZM
Chemical Name:
5-methyl-octahydro-1H-pyrrolo[3,4-c]pyridine-1,3-dione
CAS Number:
1206186-91-5
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD29954066
IUPAC Name:
5-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione
InChI:
InChI=1S/C8H12N2O2/c1-10-3-2-5-6(4-10)8(12)9-7(5)11/h5-6H,2-4H2,1H3,(H,9,11,12)
InChI Key:
KISGTJKNXBSIBU-UHFFFAOYSA-N
SMILES:
CN1CCC2C(C1)C(=O)NC2=O
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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