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98290-36-9 | Benzoic acid, 4-[2-(4-methyl-5-thiazolyl)ethoxy]-, ethyl ester
CAS No: 98290-36-9 Catalog No: AG006SRQ MDL No:
Product Description
Catalog Number:
AG006SRQ
Chemical Name:
Benzoic acid, 4-[2-(4-methyl-5-thiazolyl)ethoxy]-, ethyl ester
CAS Number:
98290-36-9
Molecular Formula:
C15H17NO3S
Molecular Weight:
291.3654
IUPAC Name:
ethyl 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoate
InChI:
InChI=1S/C15H17NO3S/c1-3-18-15(17)12-4-6-13(7-5-12)19-9-8-14-11(2)16-10-20-14/h4-7,10H,3,8-9H2,1-2H3
InChI Key:
PDRHUWYOQQFGHY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)OCCc1scnc1C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.093g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.365g/mol
Monoisotopic Mass:
291.093g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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