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Propylene glycol isostearate,Propylene glycol monoisostearate,EINECS 2

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摘 要:Propylene glycol isostearate,Propylene glycol monoisostearate,EINECS 269-027-5,Isooctadecanoic acid, monoester with 1,2-propanediol,32057-15-1,68171-38-0, 2-hydroxypropyl 16-methylheptadecanoate,Canonical SMILES: CC(C)CCCCCCCCCCCCCCC(=O)OCC(C)O,InChI
[Synonyms]
Propylene glycol isostearate
Propylene glycol monoisostearate
EINECS 269-027-5
Isooctadecanoic acid, monoester with 1,2-propanediol
32057-15-1
68171-38-0

[Structure]
Propylene glycol isostearate,Propylene glycol monoisostearate,EINECS 2

[ Properties Computed from Structure]
Molecular Weight342.55638 [g/mol]
Molecular FormulaC21H42O3
XLogP7
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count18
Exact Mass342.313395
MonoIsotopic Mass342.313395
Topological Polar Surface Area46.5
Heavy Atom Count24
Formal Charge0
Complexity276
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-hydroxypropyl 16-methylheptadecanoate
Canonical SMILES: CC(C)CCCCCCCCCCCCCCC(=O)OCC(C)O
InChI: InChI=1/C21H42O3/c1-19(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-21(23)24-
18-20(3)22/h19-20,22H,4-18H2,1-3H3

 
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