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139183-89-4 | Imidazo[1,5-a]pyridine-6-carboxylic acid, methyl ester
CAS No: 139183-89-4 Catalog No: AG001AGS MDL No:MFCD23102989
Product Description
Catalog Number:
AG001AGS
Chemical Name:
Imidazo[1,5-a]pyridine-6-carboxylic acid, methyl ester
CAS Number:
139183-89-4
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD23102989
IUPAC Name:
methyl imidazo[1,5-a]pyridine-6-carboxylate
InChI:
InChI=1S/C9H8N2O2/c1-13-9(12)7-2-3-8-4-10-6-11(8)5-7/h2-6H,1H3
InChI Key:
MUBQQJSSJDOSKH-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2n(c1)cnc2
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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