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Phosphonic acid, allyl-, dibutyl ester

HCID 199692
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Basic information

CAS
4762-64-5
Standard SMILES
C=CCP(=O)(OCCCC)OCCCC
InChIKey
KDBATBQFNNDWCG-UHFFFAOYSA-N
Molecular formula
C11H23O3P
Average molar mass
234.27 g/mol
Monoisotopic mass
234.13848159

Names & identifiers

Preferred name
Phosphonic acid, allyl-, dibutyl ester
IUPAC
1-[butoxy(prop-2-enyl)phosphoryl]oxybutane

Names & synonyms

Dibutyl allylphosphonatePhosphonic acid, allyl-, dibutyl esterBRN 17842622-Propene-1-phosphonic acid, dibutyl esterPhosphonic acid, 2-propenyl-, dibutyl esterDTXSID601972234-04-00-03572 (Beilstein Handbook Reference)RefChem:370564DTXCID701197144762-64-5SCHEMBL776772Dibutyl prop-2-en-1-ylphosphonate
Show more names
45154-23-2

Database identifiers

CAS
4762-64-5
PubChem CID
199692
DTXSID
DTXSID60197223
Nikkaji
J80.897K

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
10
Heavy atoms
15
Formal charge
0
Complexity
190

Related reactions

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Compound notes

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