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30898-83-0 | Naphthalenesulfonic acid, dodecyl-
CAS No: 30898-83-0 Catalog No: AG0031LO MDL No:
Product Description
Catalog Number:
AG0031LO
Chemical Name:
Naphthalenesulfonic acid, dodecyl-
CAS Number:
30898-83-0
Molecular Formula:
C22H32O3S
Molecular Weight:
376.5527
IUPAC Name:
2-dodecylnaphthalene-1-sulfonic acid
InChI:
InChI=1S/C22H32O3S/c1-2-3-4-5-6-7-8-9-10-11-15-20-18-17-19-14-12-13-16-21(19)22(20)26(23,24)25/h12-14,16-18H,2-11,15H2,1H3,(H,23,24,25)
InChI Key:
WHKKNVAGWPTSRS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1ccc2c(c1S(=O)(=O)O)cccc2
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.207g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.555g/mol
Monoisotopic Mass:
376.207g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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