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85567-57-3 | DIBUTYLNAPHTHALENE-2-SULFONIC ACID
CAS No: 85567-57-3 Catalog No: AG004UGP MDL No:
Product Description
Catalog Number:
AG004UGP
Chemical Name:
DIBUTYLNAPHTHALENE-2-SULFONIC ACID
CAS Number:
85567-57-3
Molecular Formula:
C18H24O3S
Molecular Weight:
320.4464
IUPAC Name:
1,3-dibutylnaphthalene-2-sulfonic acid
InChI:
InChI=1S/C18H24O3S/c1-3-5-9-15-13-14-10-7-8-12-16(14)17(11-6-4-2)18(15)22(19,20)21/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H,19,20,21)
InChI Key:
WQAHBQDXMLKOGT-UHFFFAOYSA-N
SMILES:
CCCCc1cc2ccccc2c(c1S(=O)(=O)O)CCCC
EC Number:
287-771-9
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.145g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.447g/mol
Monoisotopic Mass:
320.145g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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