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478257-80-6 | 1-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one
CAS No: 478257-80-6 Catalog No: AG00IVV4 MDL No:MFCD02082425
Product Description
Catalog Number:
AG00IVV4
Chemical Name:
1-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one
CAS Number:
478257-80-6
Molecular Formula:
C14H15NO3S
Molecular Weight:
277.3388
MDL Number:
MFCD02082425
IUPAC Name:
1-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
InChI:
InChI=1S/C14H15NO3S/c1-8-13(9(2)16)19-14(15-8)10-5-6-11(17-3)12(7-10)18-4/h5-7H,1-4H3
InChI Key:
GYXYMXZWDUOYMZ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1nc(c(s1)C(=O)C)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.338g/mol
Monoisotopic Mass:
277.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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