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115157-79-4 | Octadecenoic acid, dodecyl ester (9CI)
CAS No: 115157-79-4 Catalog No: AG000GD0 MDL No:
Product Description
Catalog Number:
AG000GD0
Chemical Name:
Octadecenoic acid, dodecyl ester (9CI)
CAS Number:
115157-79-4
Molecular Formula:
C30H58O2
Molecular Weight:
450.7803
IUPAC Name:
dodecyl octadec-2-enoate
InChI:
InChI=1S/C30H58O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30(31)32-29-27-25-23-21-14-12-10-8-6-4-2/h26,28H,3-25,27,29H2,1-2H3
InChI Key:
PWSGECUASRRMRI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC=CC(=O)OCCCCCCCCCCCC
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.444g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
450.792g/mol
Monoisotopic Mass:
450.444g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
14
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