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115299-16-6 | 4-Thiazolecarboxylic acid, 2-(2-methoxyphenyl)-, ethyl ester
CAS No: 115299-16-6 Catalog No: AG000GK8 MDL No:MFCD06738342
Product Description
Catalog Number:
AG000GK8
Chemical Name:
4-Thiazolecarboxylic acid, 2-(2-methoxyphenyl)-, ethyl ester
CAS Number:
115299-16-6
Molecular Formula:
C13H13NO3S
Molecular Weight:
263.3122
MDL Number:
MFCD06738342
IUPAC Name:
ethyl 2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C13H13NO3S/c1-3-17-13(15)10-8-18-12(14-10)9-6-4-5-7-11(9)16-2/h4-8H,3H2,1-2H3
InChI Key:
BKXAMRGQLUBAPE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc(n1)c1ccccc1OC
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.311g/mol
Monoisotopic Mass:
263.062g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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