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101843-38-3 | Dodecanoic acid, 1-(sulfophenyl) ester
CAS No: 101843-38-3 Catalog No: AG0005OS MDL No:
Product Description
Catalog Number:
AG0005OS
Chemical Name:
Dodecanoic acid, 1-(sulfophenyl) ester
CAS Number:
101843-38-3
Molecular Formula:
C18H28O5S
Molecular Weight:
356.4769
IUPAC Name:
2-dodecanoyloxybenzenesulfonic acid
InChI:
InChI=1S/C18H28O5S/c1-2-3-4-5-6-7-8-9-10-15-18(19)23-16-13-11-12-14-17(16)24(20,21)22/h11-14H,2-10,15H2,1H3,(H,20,21,22)
InChI Key:
ZDKYIHHSXJTDKX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)Oc1ccccc1S(=O)(=O)O
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.166g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.477g/mol
Monoisotopic Mass:
356.166g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
Literature
| Title | Journal |
|---|---|
| Virucidal effects of bleach activators, sodium alkyl acyloxybenzene sulfonate and acyloxybenzoic acid, against Feline calicivirus. | Journal of oleo science 20120101 |
| Effects of bleach activator, sodium alkyl acyloxybenzene sulfonate, on house dust mites (Dermatophagoides farinae). | Journal of oleo science 20100101 |
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