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114296-42-3 | Naphthalenecarboxylic acid, dinonylsulfo- (9CI)
CAS No: 114296-42-3 Catalog No: AG000B0P MDL No:
Product Description
Catalog Number:
AG000B0P
Chemical Name:
Naphthalenecarboxylic acid, dinonylsulfo- (9CI)
CAS Number:
114296-42-3
Molecular Formula:
C29H44O5S
Molecular Weight:
504.7217
IUPAC Name:
3,4-di(nonyl)-2-sulfonaphthalene-1-carboxylic acid
InChI:
InChI=1S/C29H44O5S/c1-3-5-7-9-11-13-15-19-24-23-20-17-18-21-25(23)27(29(30)31)28(35(32,33)34)26(24)22-16-14-12-10-8-6-4-2/h17-18,20-21H,3-16,19,22H2,1-2H3,(H,30,31)(H,32,33,34)
InChI Key:
KLSYIERZHRJBDO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1c2ccccc2c(c(c1CCCCCCCCC)S(=O)(=O)O)C(=O)O
Properties
Complexity:
686
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
504.291g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
504.726g/mol
Monoisotopic Mass:
504.291g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.6
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