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924865-89-4 | 3-[3,5-dimethyl-4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-enoic acid
CAS No: 924865-89-4 Catalog No: AG019PX2 MDL No:MFCD08444753
Product Description
Catalog Number:
AG019PX2
Chemical Name:
3-[3,5-dimethyl-4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-enoic acid
CAS Number:
924865-89-4
Molecular Formula:
C15H15NO3S
Molecular Weight:
289.3495
MDL Number:
MFCD08444753
IUPAC Name:
3-[3,5-dimethyl-4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C15H15NO3S/c1-10-5-12(3-4-14(17)18)6-11(2)15(10)19-7-13-8-20-9-16-13/h3-6,8-9H,7H2,1-2H3,(H,17,18)
InChI Key:
BUYVVFCEXOURNW-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1cc(C)c(c(c1)C)OCc1ncsc1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.077g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.349g/mol
Monoisotopic Mass:
289.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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