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88965-06-4 | Imidazo[1,2-a]pyridine-3-propanoicacid, 6-methyl-2-(4-methylphenyl)-
CAS No: 88965-06-4 Catalog No: AG0047HK MDL No:
Product Description
Catalog Number:
AG0047HK
Chemical Name:
Imidazo[1,2-a]pyridine-3-propanoicacid, 6-methyl-2-(4-methylphenyl)-
CAS Number:
88965-06-4
Molecular Formula:
C18H18N2O2
Molecular Weight:
294.3477
IUPAC Name:
3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
InChI:
InChI=1S/C18H18N2O2/c1-12-3-6-14(7-4-12)18-15(8-10-17(21)22)20-11-13(2)5-9-16(20)19-18/h3-7,9,11H,8,10H2,1-2H3,(H,21,22)
InChI Key:
UOROXKCDZAHOMH-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1c(nc2n1cc(C)cc2)c1ccc(cc1)C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.137g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.354g/mol
Monoisotopic Mass:
294.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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