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867330-01-6 | 1-[2-(4-Hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CAS No: 867330-01-6 Catalog No: AG00IE72 MDL No:MFCD07339544
Product Description
Catalog Number:
AG00IE72
Chemical Name:
1-[2-(4-Hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CAS Number:
867330-01-6
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
MDL Number:
MFCD07339544
IUPAC Name:
1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
InChI:
InChI=1S/C12H11NO2S/c1-7-11(8(2)14)16-12(13-7)9-3-5-10(15)6-4-9/h3-6,15H,1-2H3
InChI Key:
CVFSPXYVIUTMQL-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1nc(c(s1)C(=O)C)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.285g/mol
Monoisotopic Mass:
233.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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