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116360-22-6 | 2-Pyrazinecarboxylic acid, 3-[(1,2-dimethyl-1H-indol-3-yl)carbonyl]-
CAS No: 116360-22-6 Catalog No: AG000CA0 MDL No:
Product Description
Catalog Number:
AG000CA0
Chemical Name:
2-Pyrazinecarboxylic acid, 3-[(1,2-dimethyl-1H-indol-3-yl)carbonyl]-
CAS Number:
116360-22-6
Molecular Formula:
C16H13N3O3
Molecular Weight:
295.2927
IUPAC Name:
3-(1,2-dimethylindole-3-carbonyl)pyrazine-2-carboxylic acid
InChI:
InChI=1S/C16H13N3O3/c1-9-12(10-5-3-4-6-11(10)19(9)2)15(20)13-14(16(21)22)18-8-7-17-13/h3-8H,1-2H3,(H,21,22)
InChI Key:
ZADPYBBAOFFBTH-UHFFFAOYSA-N
SMILES:
O=C(c1c(C)n(c2c1cccc2)C)c1nccnc1C(=O)O
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.096g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.298g/mol
Monoisotopic Mass:
295.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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