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727652-31-5 | 3-(2-Biphenyl-4-yl-7-methyl-imidazo[1,2-a]pyridin-3-yl)-acrylic acid
CAS No: 727652-31-5 Catalog No: AG01EX5M MDL No:
Product Description
Catalog Number:
AG01EX5M
Chemical Name:
3-(2-Biphenyl-4-yl-7-methyl-imidazo[1,2-a]pyridin-3-yl)-acrylic acid
CAS Number:
727652-31-5
Molecular Formula:
C23H18N2O2
Molecular Weight:
354.4012
IUPAC Name:
3-[7-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
InChI:
InChI=1S/C23H18N2O2/c1-16-13-14-25-20(11-12-22(26)27)23(24-21(25)15-16)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,26,27)
InChI Key:
VNIJICNNUZZFMT-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/c1c(nc2n1ccc(c2)C)c1ccc(cc1)c1ccccc1
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.137g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.409g/mol
Monoisotopic Mass:
354.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.4
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