ethylphosphonic acid;phosphoric acid

C2H10O7P2 — CID 87124135

IUPACethylphosphonic acid;phosphoric acid
SMILESCCP(=O)(O)O.O=P(O)(O)O
InChIInChI=1S/C2H7O3P.H3O4P/c1-2-6(3,4)5;1-5(2,3)4/h2H2,1H3,(H2,3,4,5);(H3,1,2,3,4)
InChIKeyYLMROCGCPYNRJG-UHFFFAOYSA-N
MW208.04 g/mol
LogP-0.74
Rot. Bonds1

About ethylphosphonic acid;phosphoric acid

ethylphosphonic acid;phosphoric acid (PubChem CID 87124135) has the molecular formula C2H10O7P2 and a molecular weight of 208.04 g/mol. Its IUPAC name is ethylphosphonic acid;phosphoric acid.

Molecular Properties

Compound Nameethylphosphonic acid;phosphoric acid
PubChem CID87124135
Molecular FormulaC2H10O7P2
Molecular Weight208.04 g/mol
Exact Mass207.99
IUPAC Nameethylphosphonic acid;phosphoric acid
SMILESCCP(=O)(O)O.O=P(O)(O)O
InChIInChI=1S/C2H7O3P.H3O4P/c1-2-6(3,4)5;1-5(2,3)4/h2H2,1H3,(H2,3,4,5);(H3,1,2,3,4)
InChIKeyYLMROCGCPYNRJG-UHFFFAOYSA-N
XLogP-0.74
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.04
LogP ≤ 5-0.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethylphosphonic acid;zirconium
CID 161117919
sodium;ethylphosphonic acid;hydride
CID 173023675
sodium;ethylphosphonic acid;hydride;hydrate
CID 174785976
N-ethylethanamine;ethylphosphonic acid
CID 174663902
phosphonomethylphosphonic acid;phosphoric acid
CID 174390883
diethylphosphinic acid
CID 123698390
ethylphosphane;phosphoric acid
CID 175495046
ethanethiol;phosphoric acid
CID 175577772
2-chloroethanamine;ethylphosphonic acid
CID 87993583
cyclobutane;ethylphosphonic acid;propane;propanoic acid
CID 158645124
ethylphosphonic acid;(1-hydroxy-1-phosphonopropyl)phosphonic acid
CID 162206462
sodium;ethanolate;phosphoric acid
CID 158540403

Frequently Asked Questions

What is the IUPAC name of ethylphosphonic acid;phosphoric acid?
The IUPAC name of ethylphosphonic acid;phosphoric acid (CID 87124135) is ethylphosphonic acid;phosphoric acid.
What is the SMILES notation for ethylphosphonic acid;phosphoric acid?
The canonical SMILES for ethylphosphonic acid;phosphoric acid is CCP(=O)(O)O.O=P(O)(O)O.
What is the InChIKey of ethylphosphonic acid;phosphoric acid?
The InChIKey is YLMROCGCPYNRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O3P.H3O4P/c1-2-6(3,4)5;1-5(2,3)4/h2H2,1H3,(H2,3,4,5);(H3,1,2,3,4).
What are the key properties of ethylphosphonic acid;phosphoric acid?
ethylphosphonic acid;phosphoric acid has a molecular weight of 208.04 g/mol, XLogP of -0.74, 1 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylphosphonic acid;phosphoric acid is sourced from PubChem (CID 87124135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).