CVX

O-BUTLYLMETHYLPHOSPHONIC ACID ESTER GROUP

Created: 2010-09-02
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count0
Bond Count21
Aromatic Bond Count0
2D diagram of CVX

Chemical Component Summary

NameO-BUTLYLMETHYLPHOSPHONIC ACID ESTER GROUP
Systematic Name (OpenEye OEToolkits)butoxy-methyl-phosphinic acid
FormulaC5 H13 O3 P
Molecular Weight152.129
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=P(O)(OCCCC)C
SMILESCACTVS3.352CCCCO[P](C)(O)=O
SMILESOpenEye OEToolkits1.6.1CCCCOP(=O)(C)O
Canonical SMILESCACTVS3.352 CCCCO[P](C)(O)=O
Canonical SMILESOpenEye OEToolkits1.6.1 CCCCO[P@@](=O)(C)O
InChIInChI1.03 InChI=1S/C5H13O3P/c1-3-4-5-8-9(2,6)7/h3-5H2,1-2H3,(H,6,7)
InChIKeyInChI1.03 GZUFHXSFPZCNJA-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 12459492