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1234616-18-2 | 3H-IMidazo[4,5-c]pyridine-4-carboxylic acid, Methyl ester
CAS No: 1234616-18-2 Catalog No: AG000KMN MDL No:MFCD17015951
Product Description
Catalog Number:
AG000KMN
Chemical Name:
3H-IMidazo[4,5-c]pyridine-4-carboxylic acid, Methyl ester
CAS Number:
1234616-18-2
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD17015951
IUPAC Name:
methyl 1H-imidazo[4,5-c]pyridine-4-carboxylate
InChI:
InChI=1S/C8H7N3O2/c1-13-8(12)7-6-5(2-3-9-7)10-4-11-6/h2-4H,1H3,(H,10,11)
InChI Key:
AEVKUBOBFVAQDL-UHFFFAOYSA-N
SMILES:
COC(=O)c1nccc2c1[nH]cn2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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