acetic acid;phosphonous acid

C2H7O4P — CID 87496831

IUPACacetic acid;phosphonous acid
SMILESCC(=O)O.OPO
InChIInChI=1S/C2H4O2.H3O2P/c1-2(3)4;1-3-2/h1H3,(H,3,4);1-3H
InChIKeyNEBWKCRSIUXSDI-UHFFFAOYSA-N
MW126.05 g/mol
LogP-0.43
Rot. Bonds

About acetic acid;phosphonous acid

acetic acid;phosphonous acid (PubChem CID 87496831) has the molecular formula C2H7O4P and a molecular weight of 126.05 g/mol. Its IUPAC name is acetic acid;phosphonous acid.

Molecular Properties

Compound Nameacetic acid;phosphonous acid
PubChem CID87496831
Molecular FormulaC2H7O4P
Molecular Weight126.05 g/mol
Exact Mass126.01
IUPAC Nameacetic acid;phosphonous acid
SMILESCC(=O)O.OPO
InChIInChI=1S/C2H4O2.H3O2P/c1-2(3)4;1-3-2/h1H3,(H,3,4);1-3H
InChIKeyNEBWKCRSIUXSDI-UHFFFAOYSA-N
XLogP-0.43
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.05
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid
CID 158444727
acetic acid;stibane
CID 173054099
acetic acid;methanol
CID 173388753
acetic acid;ethane
CID 173226324
acetic acid;ethane
CID 173070051
acetic acid;cobalt
CID 54602348
acetic acid;tris(yttrium)
CID 59994727
acetic acid;cobalt
CID 59294242
acetic acid;nickel(2+)
CID 22169473
acetic acid;germane
CID 174334920
acetic acid;ruthenium
CID 175502908
acetic acid;vanadium
CID 173443465

Frequently Asked Questions

What is the IUPAC name of acetic acid;phosphonous acid?
The IUPAC name of acetic acid;phosphonous acid (CID 87496831) is acetic acid;phosphonous acid.
What is the SMILES notation for acetic acid;phosphonous acid?
The canonical SMILES for acetic acid;phosphonous acid is CC(=O)O.OPO.
What is the InChIKey of acetic acid;phosphonous acid?
The InChIKey is NEBWKCRSIUXSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.H3O2P/c1-2(3)4;1-3-2/h1H3,(H,3,4);1-3H.
What are the key properties of acetic acid;phosphonous acid?
acetic acid;phosphonous acid has a molecular weight of 126.05 g/mol, XLogP of -0.43, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;phosphonous acid is sourced from PubChem (CID 87496831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).