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129424-07-3 | 1-(3-HYDROXYPHENYL)-1-METHOXY-1-(2-THIAZOLYL)-PROPANE
CAS No: 129424-07-3 Catalog No: AG009G0Y MDL No:
Product Description
Catalog Number:
AG009G0Y
Chemical Name:
1-(3-HYDROXYPHENYL)-1-METHOXY-1-(2-THIAZOLYL)-PROPANE
CAS Number:
129424-07-3
Molecular Formula:
C13H15NO2S
Molecular Weight:
249.3287
IUPAC Name:
3-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]phenol
InChI:
InChI=1S/C13H15NO2S/c1-3-13(16-2,12-14-7-8-17-12)10-5-4-6-11(15)9-10/h4-9,15H,3H2,1-2H3
InChI Key:
XUJSTHPLYZTDJL-UHFFFAOYSA-N
SMILES:
CCC(c1cccc(c1)O)(c1nccs1)OC
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.328g/mol
Monoisotopic Mass:
249.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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