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1266114-63-9 | 3H-Imidazo[4,5-c]pyridine-7-carboxylic acid, ethyl ester
CAS No: 1266114-63-9 Catalog No: AG000T02 MDL No:MFCD27993824
Product Description
Catalog Number:
AG000T02
Chemical Name:
3H-Imidazo[4,5-c]pyridine-7-carboxylic acid, ethyl ester
CAS Number:
1266114-63-9
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
MDL Number:
MFCD27993824
IUPAC Name:
ethyl 3H-imidazo[4,5-c]pyridine-7-carboxylate
InChI:
InChI=1S/C9H9N3O2/c1-2-14-9(13)6-3-10-4-7-8(6)12-5-11-7/h3-5H,2H2,1H3,(H,11,12)
InChI Key:
VYYJINSKLFNOGW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cncc2c1nc[nH]2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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