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2627-35-2 molecular structure
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(dodecyloxy)phosphonic acid

ChemBase ID: 302260
Molecular Formular: C12H27O4P
Molecular Mass: 266.314141
Monoisotopic Mass: 266.16469597
SMILES and InChIs

SMILES:
CCCCCCCCCCCCOP(=O)(O)O
Canonical SMILES:
CCCCCCCCCCCCOP(=O)(O)O
InChI:
InChI=1S/C12H27O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H2,13,14,15)
InChIKey:
TVACALAUIQMRDF-UHFFFAOYSA-N

Cite this record

CBID:302260 http://www.chembase.cn/molecule-302260.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(dodecyloxy)phosphonic acid
IUPAC Traditional name
dodecyloxyphosphonic acid
Synonyms
mono-Lauryl phosphate
Phosphoric acid monododecyl ester
mono-n-Dodecyl phosphate
单正十二烷基磷酸酯
CAS Number
2627-35-2
EC Number
220-095-4
MDL Number
MFCD00013946
Beilstein Number
1710518

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Alfa Aesar L11941 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.8086363  H Acceptors
H Donor LogD (pH = 5.5) 1.8626685 
LogD (pH = 7.4) 1.1968102  Log P 4.238305 
Molar Refractivity 69.8158 cm3 Polarizability 27.726118 Å3
Polar Surface Area 66.76 Å2 Rotatable Bonds 12 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
39-45°C expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
tech. 90% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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