ethenylphosphonic acid;2-methylidenepropanedioic acid

C6H9O7P — CID 123834959

IUPACethenylphosphonic acid;2-methylidenepropanedioic acid
SMILESC=C(C(=O)O)C(=O)O.C=CP(=O)(O)O
InChIInChI=1S/C4H4O4.C2H5O3P/c1-2(3(5)6)4(7)8;1-2-6(3,4)5/h1H2,(H,5,6)(H,7,8);2H,1H2,(H2,3,4,5)
InChIKeyFNNIJWUJZOBFIH-UHFFFAOYSA-N
MW224.10 g/mol
LogP0.02
Rot. Bonds3

About ethenylphosphonic acid;2-methylidenepropanedioic acid

ethenylphosphonic acid;2-methylidenepropanedioic acid (PubChem CID 123834959) has the molecular formula C6H9O7P and a molecular weight of 224.10 g/mol. Its IUPAC name is ethenylphosphonic acid;2-methylidenepropanedioic acid.

Molecular Properties

Compound Nameethenylphosphonic acid;2-methylidenepropanedioic acid
PubChem CID123834959
Molecular FormulaC6H9O7P
Molecular Weight224.10 g/mol
Exact Mass224.01
IUPAC Nameethenylphosphonic acid;2-methylidenepropanedioic acid
SMILESC=C(C(=O)O)C(=O)O.C=CP(=O)(O)O
InChIInChI=1S/C4H4O4.C2H5O3P/c1-2(3(5)6)4(7)8;1-2-6(3,4)5/h1H2,(H,5,6)(H,7,8);2H,1H2,(H2,3,4,5)
InChIKeyFNNIJWUJZOBFIH-UHFFFAOYSA-N
XLogP0.02
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-methylidenepropanedioic acid;hydrate
CID 158875494
ethenylphosphonic acid;prop-2-enamide
CID 18401329
ethenylphosphonic acid;oxirane
CID 174918550
ethenylphosphonic acid;propane-1,3-diol
CID 159146855
ethenylphosphonic acid;styrene
CID 67019440
ethenylphosphonic acid;bis(N-ethylethanamine)
CID 174668506
ethenyl(methoxy)phosphinic acid;ethenylphosphonic acid
CID 158810817
methanol;2-methylprop-2-enoic acid;phosphoric acid
CID 163792236
acetylene;phosphoric acid;prop-2-enoic acid
CID 175312819
dichlorophosphinic acid;2-methylprop-2-enoic acid
CID 159598059
2-hydroxyprop-2-enoic acid;bis(prop-2-enoic acid)
CID 87459377
ethenylphosphonic acid;trimethyl(prop-2-enyl)azanium
CID 87909379

Frequently Asked Questions

What is the IUPAC name of ethenylphosphonic acid;2-methylidenepropanedioic acid?
The IUPAC name of ethenylphosphonic acid;2-methylidenepropanedioic acid (CID 123834959) is ethenylphosphonic acid;2-methylidenepropanedioic acid.
What is the SMILES notation for ethenylphosphonic acid;2-methylidenepropanedioic acid?
The canonical SMILES for ethenylphosphonic acid;2-methylidenepropanedioic acid is C=C(C(=O)O)C(=O)O.C=CP(=O)(O)O.
What is the InChIKey of ethenylphosphonic acid;2-methylidenepropanedioic acid?
The InChIKey is FNNIJWUJZOBFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O4.C2H5O3P/c1-2(3(5)6)4(7)8;1-2-6(3,4)5/h1H2,(H,5,6)(H,7,8);2H,1H2,(H2,3,4,5).
What are the key properties of ethenylphosphonic acid;2-methylidenepropanedioic acid?
ethenylphosphonic acid;2-methylidenepropanedioic acid has a molecular weight of 224.10 g/mol, XLogP of 0.02, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylphosphonic acid;2-methylidenepropanedioic acid is sourced from PubChem (CID 123834959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).