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1190314-20-5 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-hydroxy-4-methyl-
CAS No: 1190314-20-5 Catalog No: AG000HLF MDL No:
Product Description
Catalog Number:
AG000HLF
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-hydroxy-4-methyl-
CAS Number:
1190314-20-5
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
IUPAC Name:
5-hydroxy-4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C9H8N2O3/c1-4-6(12)3-11-8-7(4)5(2-10-8)9(13)14/h2-3,12H,1H3,(H,10,11)(H,13,14)
InChI Key:
MFNQGQQDCSETGA-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1c(C)c(cn2)O
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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