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727652-39-3 | 3-(8-Methyl-2-p-tolyl-imidazo[1,2-a]pyridin-3-yl)-acrylic acid
CAS No: 727652-39-3 Catalog No: AG01EX5U MDL No:
Product Description
Catalog Number:
AG01EX5U
Chemical Name:
3-(8-Methyl-2-p-tolyl-imidazo[1,2-a]pyridin-3-yl)-acrylic acid
CAS Number:
727652-39-3
Molecular Formula:
C18H16N2O2
Molecular Weight:
292.3318
IUPAC Name:
(E)-3-[8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
InChI:
InChI=1S/C18H16N2O2/c1-12-5-7-14(8-6-12)17-15(9-10-16(21)22)20-11-3-4-13(2)18(20)19-17/h3-11H,1-2H3,(H,21,22)/b10-9+
InChI Key:
JQBDPWZIMBRSIG-MDZDMXLPSA-N
SMILES:
OC(=O)/C=C/c1c(nc2n1cccc2C)c1ccc(cc1)C
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
292.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.338g/mol
Monoisotopic Mass:
292.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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