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114479-80-0 | Dodecanoic acid, 2-octyl-, 3-(dipropylphosphinyl)propyl ester
CAS No: 114479-80-0 Catalog No: AG000EI3 MDL No:
Product Description
Catalog Number:
AG000EI3
Chemical Name:
Dodecanoic acid, 2-octyl-, 3-(dipropylphosphinyl)propyl ester
CAS Number:
114479-80-0
Molecular Formula:
C29H59O3P
Molecular Weight:
486.7507
IUPAC Name:
3-dipropylphosphorylpropyl 2-octyldodecanoate
InChI:
InChI=1S/C29H59O3P/c1-5-9-11-13-15-16-18-20-23-28(22-19-17-14-12-10-6-2)29(30)32-24-21-27-33(31,25-7-3)26-8-4/h28H,5-27H2,1-4H3
InChI Key:
NRLXHOATCKBEAX-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(C(=O)OCCCP(=O)(CCC)CCC)CCCCCCCCCC
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
486.42g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
486.762g/mol
Monoisotopic Mass:
486.42g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
10.8
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