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1368101-33-0 | 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 6-methyl-
CAS No: 1368101-33-0 Catalog No: AG0012DV MDL No:MFCD20259327
Product Description
Catalog Number:
AG0012DV
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 6-methyl-
CAS Number:
1368101-33-0
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD20259327
IUPAC Name:
6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
InChI:
InChI=1S/C9H8N2O2/c1-5-2-3-6-4-7(9(12)13)11-8(6)10-5/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key:
YIUGSBDKPPYNNE-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(n1)[nH]c(c2)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:
1.6
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