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204707-61-9 | 6-Tetradecanesulfonic acid, phenyl ester
CAS No: 204707-61-9 Catalog No: AG0029O2 MDL No:
Product Description
Catalog Number:
AG0029O2
Chemical Name:
6-Tetradecanesulfonic acid, phenyl ester
CAS Number:
204707-61-9
Molecular Formula:
C20H34O3S
Molecular Weight:
354.5472
IUPAC Name:
phenyl tetradecane-6-sulfonate
InChI:
InChI=1S/C20H34O3S/c1-3-5-7-8-9-14-18-20(17-11-6-4-2)24(21,22)23-19-15-12-10-13-16-19/h10,12-13,15-16,20H,3-9,11,14,17-18H2,1-2H3
InChI Key:
HRSFNQIWSLGXMO-UHFFFAOYSA-N
SMILES:
CCCCCC(S(=O)(=O)Oc1ccccc1)CCCCCCCC
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.223g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.549g/mol
Monoisotopic Mass:
354.223g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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