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1190316-75-6 | 1H-Pyrrolo[3,2-b]pyridine-5-carboxylic acid, 3-formyl-
CAS No: 1190316-75-6 Catalog No: AG000HPU MDL No:
Product Description
Catalog Number:
AG000HPU
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-5-carboxylic acid, 3-formyl-
CAS Number:
1190316-75-6
Molecular Formula:
C9H6N2O3
Molecular Weight:
190.1555
IUPAC Name:
3-formyl-1H-pyrrolo[3,2-b]pyridine-5-carboxylic acid
InChI:
InChI=1S/C9H6N2O3/c12-4-5-3-10-6-1-2-7(9(13)14)11-8(5)6/h1-4,10H,(H,13,14)
InChI Key:
CXELYIWRQFSJJY-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1nc(cc2)C(=O)O
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.158g/mol
Monoisotopic Mass:
190.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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