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Home > Pyridines > 887576-77-4
887576-77-4 | 3,4-DIHYDRO-1H-PYRIDO[3,4-B]AZEPINE-2,5-DIONE
CAS No: 887576-77-4 Catalog No: AG004CM4 MDL No:
Product Description
Catalog Number:
AG004CM4
Chemical Name:
3,4-DIHYDRO-1H-PYRIDO[3,4-B]AZEPINE-2,5-DIONE
CAS Number:
887576-77-4
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
IUPAC Name:
3,4-dihydro-1H-pyrido[3,4-b]azepine-2,5-dione
InChI:
InChI=1S/C9H8N2O2/c12-8-1-2-9(13)11-7-5-10-4-3-6(7)8/h3-5H,1-2H2,(H,11,13)
InChI Key:
AIXRBNUZJXAHEQ-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)c2c(N1)cncc2
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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