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94159-32-7 | 2-(4-Methylthiazol-5-yl)ethyl hexanoate
CAS No: 94159-32-7 Catalog No: AG006PWJ MDL No:MFCD09032914
Product Description
Catalog Number:
AG006PWJ
Chemical Name:
2-(4-Methylthiazol-5-yl)ethyl hexanoate
CAS Number:
94159-32-7
Molecular Formula:
C12H19NO2S
Molecular Weight:
241.3498
MDL Number:
MFCD09032914
IUPAC Name:
2-(4-methyl-1,3-thiazol-5-yl)ethyl hexanoate
InChI:
InChI=1S/C12H19NO2S/c1-3-4-5-6-12(14)15-8-7-11-10(2)13-9-16-11/h9H,3-8H2,1-2H3
InChI Key:
VJULDCZELAIZHC-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)OCCc1scnc1C
EC Number:
303-210-3
UNII:
9J734HMU58
FEMA Number:
4279
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.114g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.349g/mol
Monoisotopic Mass:
241.114g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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