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Home > Imidazoles > 681260-15-1
681260-15-1 | 3-[6-(4-Methoxy-phenyl)-imidazo[2,1-b]thiazol-5-yl]-acrylic acid
CAS No: 681260-15-1 Catalog No: AG01EWXK MDL No:
Product Description
Catalog Number:
AG01EWXK
Chemical Name:
3-[6-(4-Methoxy-phenyl)-imidazo[2,1-b]thiazol-5-yl]-acrylic acid
CAS Number:
681260-15-1
Molecular Formula:
C15H12N2O3S
Molecular Weight:
300.3324
IUPAC Name:
(E)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
InChI:
InChI=1S/C15H12N2O3S/c1-20-11-4-2-10(3-5-11)14-12(6-7-13(18)19)17-8-9-21-15(17)16-14/h2-9H,1H3,(H,18,19)/b7-6+
InChI Key:
KJNJHBRRZFAWIY-VOTSOKGWSA-N
SMILES:
COc1ccc(cc1)c1nc2n(c1/C=C/C(=O)O)ccs2
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
300.057g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.332g/mol
Monoisotopic Mass:
300.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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