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13887-93-9 | Acetic acid, 2-(dodecylsulfonyl)-
CAS No: 13887-93-9 Catalog No: AG0019QV MDL No:
Product Description
Catalog Number:
AG0019QV
Chemical Name:
Acetic acid, 2-(dodecylsulfonyl)-
CAS Number:
13887-93-9
Molecular Formula:
C14H28O4S
Molecular Weight:
292.4347
IUPAC Name:
2-dodecylsulfonylacetic acid
InChI:
InChI=1S/C14H28O4S/c1-2-3-4-5-6-7-8-9-10-11-12-19(17,18)13-14(15)16/h2-13H2,1H3,(H,15,16)
InChI Key:
ZCYZWSXKUWASET-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCS(=O)(=O)CC(=O)O
NSC Number:
408529
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.171g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.434g/mol
Monoisotopic Mass:
292.171g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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