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1260381-32-5 | 1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid, 6-methoxy-, ethyl ester
CAS No: 1260381-32-5 Catalog No: AG000QRS MDL No:
Product Description
Catalog Number:
AG000QRS
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid, 6-methoxy-, ethyl ester
CAS Number:
1260381-32-5
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
IUPAC Name:
ethyl 6-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
InChI:
InChI=1S/C11H12N2O3/c1-3-16-11(14)10-5-8-9(13-10)4-7(15-2)6-12-8/h4-6,13H,3H2,1-2H3
InChI Key:
FZIGNZVYYTYCHA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)cc(cn2)OC
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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