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1394175-19-9 | 1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, 1-methyl-
CAS No: 1394175-19-9 Catalog No: AG001AZK MDL No:
Product Description
Catalog Number:
AG001AZK
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, 1-methyl-
CAS Number:
1394175-19-9
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
IUPAC Name:
1-methylpyrrolo[2,3-c]pyridine-3-carboxylic acid
InChI:
InChI=1S/C9H8N2O2/c1-11-5-7(9(12)13)6-2-3-10-4-8(6)11/h2-5H,1H3,(H,12,13)
InChI Key:
REAWBUYYYAJMCH-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn(c2c1ccnc2)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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