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727652-32-6 | 3-(8-Methyl-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-acrylic acid
CAS No: 727652-32-6 Catalog No: AG01EX5N MDL No:
Product Description
Catalog Number:
AG01EX5N
Chemical Name:
3-(8-Methyl-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-acrylic acid
CAS Number:
727652-32-6
Molecular Formula:
C17H14N2O2
Molecular Weight:
278.3053
IUPAC Name:
3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
InChI:
InChI=1S/C17H14N2O2/c1-12-6-5-11-19-14(9-10-15(20)21)16(18-17(12)19)13-7-3-2-4-8-13/h2-11H,1H3,(H,20,21)
InChI Key:
SOIMMRSMZUCEAO-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/c1c(nc2n1cccc2C)c1ccccc1
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.311g/mol
Monoisotopic Mass:
278.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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