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140-60-3 | Benzenesulfonic acid, 4-decyl-
CAS No: 140-60-3 Catalog No: AG001BXG MDL No:
Product Description
Catalog Number:
AG001BXG
Chemical Name:
Benzenesulfonic acid, 4-decyl-
CAS Number:
140-60-3
Molecular Formula:
C16H26O3S
Molecular Weight:
298.4408
IUPAC Name:
4-decylbenzenesulfonic acid
InChI:
InChI=1S/C16H26O3S/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(14-12-15)20(17,18)19/h11-14H,2-10H2,1H3,(H,17,18,19)
InChI Key:
UASQKKHYUPBQJR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCc1ccc(cc1)S(=O)(=O)O
EC Number:
205-422-0
UNII:
3A46YTI174
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.16g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.441g/mol
Monoisotopic Mass:
298.16g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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