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681260-13-9 | 3-[2-(4-Methoxy-phenyl)-imidazo[1,2-a]pyridin-3-yl]-acrylic acid
CAS No: 681260-13-9 Catalog No: AG01EWXJ MDL No:
Product Description
Catalog Number:
AG01EWXJ
Chemical Name:
3-[2-(4-Methoxy-phenyl)-imidazo[1,2-a]pyridin-3-yl]-acrylic acid
CAS Number:
681260-13-9
Molecular Formula:
C17H14N2O3
Molecular Weight:
294.3047
IUPAC Name:
(E)-3-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
InChI:
InChI=1S/C17H14N2O3/c1-22-13-7-5-12(6-8-13)17-14(9-10-16(20)21)19-11-3-2-4-15(19)18-17/h2-11H,1H3,(H,20,21)/b10-9+
InChI Key:
ICVWWIPTRRYOHA-MDZDMXLPSA-N
SMILES:
COc1ccc(cc1)c1nc2n(c1/C=C/C(=O)O)cccc2
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
294.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.31g/mol
Monoisotopic Mass:
294.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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