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2-Hydroxypropyl Palmitate

CAT: 1299-RG-H050401-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-H050401-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3539-33-1
Synonyms
2-hydroxypropyl palmitate
Molecular Formula
C19H38O3
Molecular Weight
314.5
Product Name Synonym
2-hydroxypropyl palmitate

Chemical Information

Palmitic acid, monoester with propane-1,2-diol
CAS Number3539-33-1
PubChem CID119851
IUPAC Name2-hydroxypropyl hexadecanoate
Molecular FormulaC19H38O3
Molecular Weight314.5
XLogP7.2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count17
Heavy Atom Count22
Formal Charge0
Complexity241
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(C)O
InChI
InChI=1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21)22-17-18(2)20/h18,20H,3-17H2,1-2H3
InChIKey
FAQKRSYDADCZGK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Palmitic acid, monoester with propane-1,2-diol
CAS: 3539-33-1
CID: 119851
Formula: C19H38O3
MW: 314.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.5
XLogP37.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count17
Exact Mass314.28209507
Monoisotopic Mass314.28209507
Topological Polar Surface Area46.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity241
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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