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88047-55-6 | Methyl imidazo[1,2-a]pyridine-5-carboxylate
CAS No: 88047-55-6 Catalog No: AG004MH3 MDL No:MFCD12026020
Product Description
Catalog Number:
AG004MH3
Chemical Name:
Methyl imidazo[1,2-a]pyridine-5-carboxylate
CAS Number:
88047-55-6
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD12026020
IUPAC Name:
methyl imidazo[1,2-a]pyridine-5-carboxylate
InChI:
InChI=1S/C9H8N2O2/c1-13-9(12)7-3-2-4-8-10-5-6-11(7)8/h2-6H,1H3
InChI Key:
HDJQUCDRHCVPEQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2n1ccn2
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:
1.9
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