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101426-31-7 | Decanoic acid, 2-(4-methyl-5-thiazolyl)ethyl ester
CAS No: 101426-31-7 Catalog No: AG0004GH MDL No:MFCD09032915
Product Description
Catalog Number:
AG0004GH
Chemical Name:
Decanoic acid, 2-(4-methyl-5-thiazolyl)ethyl ester
CAS Number:
101426-31-7
Molecular Formula:
C16H27NO2S
Molecular Weight:
297.4561
MDL Number:
MFCD09032915
IUPAC Name:
2-(4-methyl-1,3-thiazol-5-yl)ethyl decanoate
InChI:
InChI=1S/C16H27NO2S/c1-3-4-5-6-7-8-9-10-16(18)19-12-11-15-14(2)17-13-20-15/h13H,3-12H2,1-2H3
InChI Key:
RUOLKIITSCGKJQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)OCCc1scnc1C
UNII:
58A4103WF6
FEMA Number:
4281
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.176g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.457g/mol
Monoisotopic Mass:
297.176g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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