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102175-98-4 | Dodecanoic acid, 2-(4-methyl-5-thiazolyl)ethyl ester
CAS No: 102175-98-4 Catalog No: AG0006T9 MDL No:
Product Description
Catalog Number:
AG0006T9
Chemical Name:
Dodecanoic acid, 2-(4-methyl-5-thiazolyl)ethyl ester
CAS Number:
102175-98-4
Molecular Formula:
C18H31NO2S
Molecular Weight:
325.5092
IUPAC Name:
2-(4-methyl-1,3-thiazol-5-yl)ethyl octanoate
InChI:
InChI=1S/C14H23NO2S/c1-3-4-5-6-7-8-14(16)17-10-9-13-12(2)15-11-18-13/h11H,3-10H2,1-2H3
InChI Key:
OGJATLSJIMPQBD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)OCCc1scnc1C
UNII:
1P83YTY662
FEMA Number:
4280
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.145g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.403g/mol
Monoisotopic Mass:
269.145g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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