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139427-83-1 | Naphthalenesulfonic acid, didecyl-1,2,3,4-tetrahydro- (9CI)
CAS No: 139427-83-1 Catalog No: AG001B0M MDL No:
Product Description
Catalog Number:
AG001B0M
Chemical Name:
Naphthalenesulfonic acid, didecyl-1,2,3,4-tetrahydro- (9CI)
CAS Number:
139427-83-1
Molecular Formula:
C30H52O3S
Molecular Weight:
492.7971
IUPAC Name:
1,2-didecyl-3,4-dihydro-2H-naphthalene-1-sulfonic acid
InChI:
InChI=1S/C30H52O3S/c1-3-5-7-9-11-13-15-17-22-28-25-24-27-21-18-19-23-29(27)30(28,34(31,32)33)26-20-16-14-12-10-8-6-4-2/h18-19,21,23,28H,3-17,20,22,24-26H2,1-2H3,(H,31,32,33)
InChI Key:
JTAMVRKJCVFIKG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC1CCc2c(C1(CCCCCCCCCC)S(=O)(=O)O)cccc2
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.364g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
492.803g/mol
Monoisotopic Mass:
492.364g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
11.4
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