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924876-61-9 | 3-[3,5-dimethoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-enoic acid
CAS No: 924876-61-9 Catalog No: AG019RQQ MDL No:MFCD08445048
Product Description
Catalog Number:
AG019RQQ
Chemical Name:
3-[3,5-dimethoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-enoic acid
CAS Number:
924876-61-9
Molecular Formula:
C15H15NO5S
Molecular Weight:
321.3483
MDL Number:
MFCD08445048
IUPAC Name:
3-[3,5-dimethoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C15H15NO5S/c1-19-12-5-10(3-4-14(17)18)6-13(20-2)15(12)21-7-11-8-22-9-16-11/h3-6,8-9H,7H2,1-2H3,(H,17,18)
InChI Key:
OMHSXOBXJPFEOK-UHFFFAOYSA-N
SMILES:
COc1cc(C=CC(=O)O)cc(c1OCc1ncsc1)OC
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.067g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.347g/mol
Monoisotopic Mass:
321.067g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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