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1190321-80-2 | 1H-Pyrrolo[2,3-b]pyridine-3,5-dicarboxylic acid, 5-methyl ester
CAS No: 1190321-80-2 Catalog No: AG000HZF MDL No:
Product Description
Catalog Number:
AG000HZF
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3,5-dicarboxylic acid, 5-methyl ester
CAS Number:
1190321-80-2
Molecular Formula:
C10H7N2O4-
Molecular Weight:
219.1736
IUPAC Name:
5-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C10H8N2O4/c1-16-10(15)5-2-6-7(9(13)14)4-12-8(6)11-3-5/h2-4H,1H3,(H,11,12)(H,13,14)
InChI Key:
SAPUWAGYDRIBES-UHFFFAOYSA-N
SMILES:
[O-]C(=O)c1c[nH]c2c1cc(cn2)C(=O)OC
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.184g/mol
Monoisotopic Mass:
220.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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