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727652-40-6 | 3-(2-Biphenyl-4-yl-8-methyl-imidazo[1,2-a]pyridin-3-yl)-acrylic acid
CAS No: 727652-40-6 Catalog No: AG01EX5V MDL No:
Product Description
Catalog Number:
AG01EX5V
Chemical Name:
3-(2-Biphenyl-4-yl-8-methyl-imidazo[1,2-a]pyridin-3-yl)-acrylic acid
CAS Number:
727652-40-6
Molecular Formula:
C23H18N2O2
Molecular Weight:
354.4012
IUPAC Name:
3-[8-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
InChI:
InChI=1S/C23H18N2O2/c1-16-6-5-15-25-20(13-14-21(26)27)22(24-23(16)25)19-11-9-18(10-12-19)17-7-3-2-4-8-17/h2-15H,1H3,(H,26,27)
InChI Key:
SRSKDDVPSJIFQQ-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/c1c(nc2n1cccc2C)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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