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727652-34-8 | 3-[2-(4-Methoxy-phenyl)-8-methyl-imidazo[1,2-a]-pyridin-3-yl]-acrylic acid
CAS No: 727652-34-8 Catalog No: AG01EX5P MDL No:MFCD04117046
Product Description
Catalog Number:
AG01EX5P
Chemical Name:
3-[2-(4-Methoxy-phenyl)-8-methyl-imidazo[1,2-a]-pyridin-3-yl]-acrylic acid
CAS Number:
727652-34-8
Molecular Formula:
C18H16N2O3
Molecular Weight:
308.3312
MDL Number:
MFCD04117046
IUPAC Name:
(E)-3-[2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
InChI:
InChI=1S/C18H16N2O3/c1-12-4-3-11-20-15(9-10-16(21)22)17(19-18(12)20)13-5-7-14(23-2)8-6-13/h3-11H,1-2H3,(H,21,22)/b10-9+
InChI Key:
XAHXNFSUFBFLSG-MDZDMXLPSA-N
SMILES:
COc1ccc(cc1)c1nc2n(c1/C=C/C(=O)O)cccc2C
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
308.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.337g/mol
Monoisotopic Mass:
308.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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