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Home > Pyridines > 1148027-26-2
1148027-26-2 | 6-ethyl-1H,2H,3H,4H,5H-pyrrolo[3,4-c]pyridine-1,4-dione
CAS No: 1148027-26-2 Catalog No: AG00JWDQ MDL No:MFCD12546955
Product Description
Catalog Number:
AG00JWDQ
Chemical Name:
6-ethyl-1H,2H,3H,4H,5H-pyrrolo[3,4-c]pyridine-1,4-dione
CAS Number:
1148027-26-2
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
MDL Number:
MFCD12546955
IUPAC Name:
6-ethyl-3,5-dihydro-2H-pyrrolo[3,4-c]pyridine-1,4-dione
InChI:
InChI=1S/C9H10N2O2/c1-2-5-3-6-7(9(13)11-5)4-10-8(6)12/h3H,2,4H2,1H3,(H,10,12)(H,11,13)
InChI Key:
RSBUABRFMGKECF-UHFFFAOYSA-N
SMILES:
CCc1cc2C(=O)NCc2c(=O)[nH]1
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.191g/mol
Monoisotopic Mass:
178.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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