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1190322-79-2 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-methoxy-4-methyl-
CAS No: 1190322-79-2 Catalog No: AG000I2E MDL No:
Product Description
Catalog Number:
AG000I2E
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-methoxy-4-methyl-
CAS Number:
1190322-79-2
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
IUPAC Name:
5-methoxy-4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C10H10N2O3/c1-5-7(15-2)4-12-9-8(5)6(3-11-9)10(13)14/h3-4H,1-2H3,(H,11,12)(H,13,14)
InChI Key:
MVZOYDQTWOULSY-UHFFFAOYSA-N
SMILES:
COc1cnc2c(c1C)c(c[nH]2)C(=O)O
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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