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727652-28-0 | 3-[2-(3,4-Dimethoxy-phenyl)-7-methyl-imidazo-[1,2-a]pyridin-3-yl]-acrylic acid
CAS No: 727652-28-0 Catalog No: AG01EX5J MDL No:
Product Description
Catalog Number:
AG01EX5J
Chemical Name:
3-[2-(3,4-Dimethoxy-phenyl)-7-methyl-imidazo-[1,2-a]pyridin-3-yl]-acrylic acid
CAS Number:
727652-28-0
Molecular Formula:
C19H18N2O4
Molecular Weight:
338.3572
IUPAC Name:
3-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
InChI:
InChI=1S/C19H18N2O4/c1-12-8-9-21-14(5-7-18(22)23)19(20-17(21)10-12)13-4-6-15(24-2)16(11-13)25-3/h4-11H,1-3H3,(H,22,23)
InChI Key:
GTMWZZBAUINJPT-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1nc2n(c1/C=C/C(=O)O)ccc(c2)C
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.127g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.363g/mol
Monoisotopic Mass:
338.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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