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1260385-79-2 | 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 4-methyl-, ethyl ester
CAS No: 1260385-79-2 Catalog No: AG000QTO MDL No:
Product Description
Catalog Number:
AG000QTO
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 4-methyl-, ethyl ester
CAS Number:
1260385-79-2
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
IUPAC Name:
ethyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
InChI:
InChI=1S/C11H12N2O2/c1-3-15-11(14)9-6-8-7(2)4-5-12-10(8)13-9/h4-6H,3H2,1-2H3,(H,12,13)
InChI Key:
SNGHBNRZSHKIFY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)nccc2C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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