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7470-81-7 | 2-(2-DODECANOYLOXYETHYLSULFONYL)ETHYL DODECANOATE
CAS No: 7470-81-7 Catalog No: AG005HYG MDL No:
Product Description
Catalog Number:
AG005HYG
Chemical Name:
2-(2-DODECANOYLOXYETHYLSULFONYL)ETHYL DODECANOATE
CAS Number:
7470-81-7
Molecular Formula:
C28H54O6S
Molecular Weight:
518.7898
IUPAC Name:
2-(2-dodecanoyloxyethylsulfonyl)ethyl dodecanoate
InChI:
InChI=1S/C28H54O6S/c1-3-5-7-9-11-13-15-17-19-21-27(29)33-23-25-35(31,32)26-24-34-28(30)22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3
InChI Key:
OORFLFYJLBQVBS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)OCCS(=O)(=O)CCOC(=O)CCCCCCCCCCC
NSC Number:
402454
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
518.364g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
518.794g/mol
Monoisotopic Mass:
518.364g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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