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727652-22-4 | 3-[2-(3,4-Dimethoxy-phenyl)-imidazo[1,2-a]pyridin-3-yl]-acrylic acid
CAS No: 727652-22-4 Catalog No: AG01EX5F MDL No:
Product Description
Catalog Number:
AG01EX5F
Chemical Name:
3-[2-(3,4-Dimethoxy-phenyl)-imidazo[1,2-a]pyridin-3-yl]-acrylic acid
CAS Number:
727652-22-4
Molecular Formula:
C18H16N2O4
Molecular Weight:
324.3306
IUPAC Name:
3-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
InChI:
InChI=1S/C18H16N2O4/c1-23-14-8-6-12(11-15(14)24-2)18-13(7-9-17(21)22)20-10-4-3-5-16(20)19-18/h3-11H,1-2H3,(H,21,22)
InChI Key:
ALHBDVLFFIONPD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC)c1nc2n(c1/C=C/C(=O)O)cccc2
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.111g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.336g/mol
Monoisotopic Mass:
324.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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