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Bis (2-butoxyethyl) phosphate

CAT: 0127-OR1076469Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR1076469Size:1 Each
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CAS Number
14260-97-0
Purity
98%
Smiles
O=P(OCCOCCCC)(OCCOCCCC)O

Chemical Information

Ethanol, 2-butoxy-, 1,1'-(hydrogen phosphate)
CAS Number14260-97-0
PubChem CID84299
IUPAC Namebis(2-butoxyethyl) hydrogen phosphate
Molecular FormulaC12H27O6P
Molecular Weight298.31
XLogP1.2
Topological Polar Surface Area74.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Heavy Atom Count19
Formal Charge0
Complexity216
SMILES
CCCCOCCOP(=O)(O)OCCOCCCC
InChI
InChI=1S/C12H27O6P/c1-3-5-7-15-9-11-17-19(13,14)18-12-10-16-8-6-4-2/h3-12H2,1-2H3,(H,13,14)
InChIKey
NNXWIPHZHATIFE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethanol, 2-butoxy-, 1,1'-(hydrogen phosphate)
CAS: 14260-97-0
CID: 84299
Formula: C12H27O6P
MW: 298.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.31
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Exact Mass298.15452557
Monoisotopic Mass298.15452557
Topological Polar Surface Area74.2 Ų
Heavy Atom Count19
Formal Charge0
Complexity216
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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GTR19224678-01Tri (2-butoxyethyl) phosphate
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