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1190311-46-6 | 1H-Pyrrolo[3,2-b]pyridine-5-carboxylic acid, 3-nitro-
CAS No: 1190311-46-6 Catalog No: AG000HH9 MDL No:
Product Description
Catalog Number:
AG000HH9
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-5-carboxylic acid, 3-nitro-
CAS Number:
1190311-46-6
Molecular Formula:
C8H5N3O4
Molecular Weight:
207.1430
IUPAC Name:
3-nitro-1H-pyrrolo[3,2-b]pyridine-5-carboxylic acid
InChI:
InChI=1S/C8H5N3O4/c12-8(13)5-2-1-4-7(10-5)6(3-9-4)11(14)15/h1-3,9H,(H,12,13)
InChI Key:
CMBNUIXGRASMAR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]c2c1nc(cc2)C(=O)O
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.145g/mol
Monoisotopic Mass:
207.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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