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Home > Pyridines > 1409198-11-3
1409198-11-3 | 3-(1,3-Dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)benzoic acid
CAS No: 1409198-11-3 Catalog No: AG00HVYE MDL No:MFCD22689466
Product Description
Catalog Number:
AG00HVYE
Chemical Name:
3-(1,3-Dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)benzoic acid
CAS Number:
1409198-11-3
Molecular Formula:
C14H8N2O4
Molecular Weight:
268.2243
MDL Number:
MFCD22689466
IUPAC Name:
3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)benzoic acid
InChI:
InChI=1S/C14H8N2O4/c17-12-10-4-5-15-7-11(10)13(18)16(12)9-3-1-2-8(6-9)14(19)20/h1-7H,(H,19,20)
InChI Key:
PTDRRDIBIYOBER-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)N1C(=O)c2c(C1=O)cncc2
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.048g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.228g/mol
Monoisotopic Mass:
268.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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