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Dibutyl hydrogen phosphate

CAT: 0127-OR1012831-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0127-OR1012831-01Size:100 g
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CAS Number
107-66-4
Synonyms
Dibutyl phosphate
MDL Number
MFCD00015245
Purity
97%
Smiles
CCCCOP(O)(=O)OCCCC

Chemical Information

Dibutyl phosphate

Dibutyl phosphate is a dialkyl phosphate.

CAS Number107-66-4
PubChem CID7881
IUPAC Namedibutyl hydrogen phosphate
Molecular FormulaC8H19O4P
Molecular Weight210.21
XLogP1.5
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count13
Formal Charge0
Complexity146
SMILES
CCCCOP(=O)(O)OCCCC
InChI
InChI=1S/C8H19O4P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H,9,10)
InChIKey
JYFHYPJRHGVZDY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dibutyl phosphate
CAS: 107-66-4
CID: 7881
Formula: C8H19O4P
MW: 210.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight210.21
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass210.10209608
Monoisotopic Mass210.10209608
Topological Polar Surface Area55.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity146
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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