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1190312-22-1 | 1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 6-methoxy-, methyl ester
CAS No: 1190312-22-1 Catalog No: AG000HIV MDL No:
Product Description
Catalog Number:
AG000HIV
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 6-methoxy-, methyl ester
CAS Number:
1190312-22-1
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
IUPAC Name:
methyl 6-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
InChI:
InChI=1S/C10H10N2O3/c1-14-8-5-7(10(13)15-2)6-3-4-11-9(6)12-8/h3-5H,1-2H3,(H,11,12)
InChI Key:
UHIOSDXEZFZBCH-UHFFFAOYSA-N
SMILES:
COc1nc2[nH]ccc2c(c1)C(=O)OC
Properties
Complexity:
247
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:
1
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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