carboxyoxycarbonylphosphonic acid

C2H3O7P — CID 88697626

IUPACcarboxyoxycarbonylphosphonic acid
SMILESO=C(O)OC(=O)P(=O)(O)O
InChIInChI=1S/C2H3O7P/c3-1(4)9-2(5)10(6,7)8/h(H,3,4)(H2,6,7,8)
InChIKeyDIXLANALMHOPLM-UHFFFAOYSA-N
MW170.01 g/mol
LogP-0.02
Rot. Bonds1

About carboxyoxycarbonylphosphonic acid

carboxyoxycarbonylphosphonic acid (PubChem CID 88697626) has the molecular formula C2H3O7P and a molecular weight of 170.01 g/mol. Its IUPAC name is carboxyoxycarbonylphosphonic acid.

Molecular Properties

Compound Namecarboxyoxycarbonylphosphonic acid
PubChem CID88697626
Molecular FormulaC2H3O7P
Molecular Weight170.01 g/mol
Exact Mass169.96
IUPAC Namecarboxyoxycarbonylphosphonic acid
SMILESO=C(O)OC(=O)P(=O)(O)O
InChIInChI=1S/C2H3O7P/c3-1(4)9-2(5)10(6,7)8/h(H,3,4)(H2,6,7,8)
InChIKeyDIXLANALMHOPLM-UHFFFAOYSA-N
XLogP-0.02
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.01
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dicarboxy carbonate;phosphoric acid
CID 160573536
carboxy hydrogen carbonate;hydrochloride
CID 141485807
dicalcium;carboxy hydrogen carbonate;hydride
CID 174530537
dicarboxy carbonate
CID 18671322
barium(2+);hydride;phosphonoformic acid
CID 173136761
sodium;carbonic acid;hydride;iron;phosphoric acid
CID 175192038
dicarboxy carbonate;manganese
CID 174775106
hydrogen peroxide;phosphoric acid
CID 18509931
iron;phosphoric acid
CID 174838016
iron;phosphoric acid
CID 175001141
dicalcium;hydride;phosphono hydrogen carbonate
CID 173003816
dilithium;hydride;phosphono hydrogen carbonate
CID 174596841

Frequently Asked Questions

What is the IUPAC name of carboxyoxycarbonylphosphonic acid?
The IUPAC name of carboxyoxycarbonylphosphonic acid (CID 88697626) is carboxyoxycarbonylphosphonic acid.
What is the SMILES notation for carboxyoxycarbonylphosphonic acid?
The canonical SMILES for carboxyoxycarbonylphosphonic acid is O=C(O)OC(=O)P(=O)(O)O.
What is the InChIKey of carboxyoxycarbonylphosphonic acid?
The InChIKey is DIXLANALMHOPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3O7P/c3-1(4)9-2(5)10(6,7)8/h(H,3,4)(H2,6,7,8).
What are the key properties of carboxyoxycarbonylphosphonic acid?
carboxyoxycarbonylphosphonic acid has a molecular weight of 170.01 g/mol, XLogP of -0.02, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carboxyoxycarbonylphosphonic acid is sourced from PubChem (CID 88697626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).