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85081-53-4 | TRIDECYL HYDROGEN 2-DODECENYLSUCCINATE
CAS No: 85081-53-4 Catalog No: AG004XNV MDL No:
Product Description
Catalog Number:
AG004XNV
Chemical Name:
TRIDECYL HYDROGEN 2-DODECENYLSUCCINATE
CAS Number:
85081-53-4
Molecular Formula:
C29H54O4
Molecular Weight:
466.7367
IUPAC Name:
3-tridecoxycarbonylpentadec-4-enoic acid
InChI:
InChI=1S/C29H54O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-33-29(32)27(26-28(30)31)24-22-20-18-16-14-12-10-8-6-4-2/h22,24,27H,3-21,23,25-26H2,1-2H3,(H,30,31)
InChI Key:
OHKUNTGRXSUJFE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCOC(=O)C(CC(=O)O)C=CCCCCCCCCCC
EC Number:
285-343-6
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.402g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
466.747g/mol
Monoisotopic Mass:
466.402g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
11.5
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