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1198095-99-6 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-methyl-
CAS No: 1198095-99-6 Catalog No: AG000PO7 MDL No:MFCD13563087
Product Description
Catalog Number:
AG000PO7
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-methyl-
CAS Number:
1198095-99-6
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD13563087
IUPAC Name:
5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C9H8N2O2/c1-5-2-6-7(9(12)13)4-11-8(6)10-3-5/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key:
MHTZMYMOQLUMHK-UHFFFAOYSA-N
SMILES:
Cc1cc2c(c[nH]c2nc1)C(=O)O
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:
2
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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