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Home > Imidazoles > 817172-51-3
817172-51-3 | (2E)-3-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CAS No: 817172-51-3 Catalog No: AG00VTNM MDL No:MFCD03788983
Product Description
Catalog Number:
AG00VTNM
Chemical Name:
(2E)-3-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CAS Number:
817172-51-3
Molecular Formula:
C18H16N2O2
Molecular Weight:
292.3318
MDL Number:
MFCD03788983
IUPAC Name:
3-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
InChI:
InChI=1S/C18H16N2O2/c1-12-3-5-14(6-4-12)18-15(7-8-17(21)22)20-10-9-13(2)11-16(20)19-18/h3-11H,1-2H3,(H,21,22)
InChI Key:
ONCWNXWDPWLCBO-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/c1c(nc2n1ccc(c2)C)c1ccc(cc1)C
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1
XLogP3:
4.1
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