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137754-72-4 | Acetic acid, 2-mercapto-, 11-methyldodecyl ester
CAS No: 137754-72-4 Catalog No: AG0013SW MDL No:
Product Description
Catalog Number:
AG0013SW
Chemical Name:
Acetic acid, 2-mercapto-, 11-methyldodecyl ester
CAS Number:
137754-72-4
Molecular Formula:
C15H30O2S
Molecular Weight:
274.4625
IUPAC Name:
11-methyldodecyl 2-sulfanylacetate
InChI:
InChI=1S/C15H30O2S/c1-14(2)11-9-7-5-3-4-6-8-10-12-17-15(16)13-18/h14,18H,3-13H2,1-2H3
InChI Key:
HYBIDFUUNHAJDS-UHFFFAOYSA-N
SMILES:
SCC(=O)OCCCCCCCCCCC(C)C
EC Number:
260-730-2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.197g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.463g/mol
Monoisotopic Mass:
274.197g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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