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94021-43-9 | 2-(5-METHYLTHIAZOL-4-YL)ETHYL PROPIONATE
CAS No: 94021-43-9 Catalog No: AG006T82 MDL No:
Product Description
Catalog Number:
AG006T82
Chemical Name:
2-(5-METHYLTHIAZOL-4-YL)ETHYL PROPIONATE
CAS Number:
94021-43-9
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
IUPAC Name:
2-(5-methyl-1,3-thiazol-4-yl)ethyl propanoate
InChI:
InChI=1S/C9H13NO2S/c1-3-9(11)12-5-4-8-7(2)13-6-10-8/h6H,3-5H2,1-2H3
InChI Key:
HEVNJCHQOIKSBD-UHFFFAOYSA-N
SMILES:
CCC(=O)OCCc1ncsc1C
EC Number:
301-438-8
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.268g/mol
Monoisotopic Mass:
199.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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