acetic acid;acetyl acetate;dihydroxy(oxo)phosphanium

C6H12O8P+ — CID 126843366

IUPACacetic acid;acetyl acetate;dihydroxy(oxo)phosphanium
SMILESCC(=O)O.CC(=O)OC(C)=O.O=[P+](O)O
InChIInChI=1S/C4H6O3.C2H4O2.HO3P/c1-3(5)7-4(2)6;1-2(3)4;1-4(2)3/h1-2H3;1H3,(H,3,4);(H-,1,2,3)/p+1
InChIKeyPVWGMZFVKNEJNC-UHFFFAOYSA-O
MW243.13 g/mol
LogP-0.18
Rot. Bonds

About acetic acid;acetyl acetate;dihydroxy(oxo)phosphanium

acetic acid;acetyl acetate;dihydroxy(oxo)phosphanium (PubChem CID 126843366) has the molecular formula C6H12O8P+ and a molecular weight of 243.13 g/mol. Its IUPAC name is acetic acid;acetyl acetate;dihydroxy(oxo)phosphanium.

Molecular Properties

Compound Nameacetic acid;acetyl acetate;dihydroxy(oxo)phosphanium
PubChem CID126843366
Molecular FormulaC6H12O8P+
Molecular Weight243.13 g/mol
Exact Mass243.03
IUPAC Nameacetic acid;acetyl acetate;dihydroxy(oxo)phosphanium
SMILESCC(=O)O.CC(=O)OC(C)=O.O=[P+](O)O
InChIInChI=1S/C4H6O3.C2H4O2.HO3P/c1-3(5)7-4(2)6;1-2(3)4;1-4(2)3/h1-2H3;1H3,(H,3,4);(H-,1,2,3)/p+1
InChIKeyPVWGMZFVKNEJNC-UHFFFAOYSA-O
XLogP-0.18
TPSA138.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of acetic acid;acetyl acetate;dihydroxy(oxo)phosphanium?
The IUPAC name of acetic acid;acetyl acetate;dihydroxy(oxo)phosphanium (CID 126843366) is acetic acid;acetyl acetate;dihydroxy(oxo)phosphanium.
What is the SMILES notation for acetic acid;acetyl acetate;dihydroxy(oxo)phosphanium?
The canonical SMILES for acetic acid;acetyl acetate;dihydroxy(oxo)phosphanium is CC(=O)O.CC(=O)OC(C)=O.O=[P+](O)O.
What is the InChIKey of acetic acid;acetyl acetate;dihydroxy(oxo)phosphanium?
The InChIKey is PVWGMZFVKNEJNC-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H6O3.C2H4O2.HO3P/c1-3(5)7-4(2)6;1-2(3)4;1-4(2)3/h1-2H3;1H3,(H,3,4);(H-,1,2,3)/p+1.
What are the key properties of acetic acid;acetyl acetate;dihydroxy(oxo)phosphanium?
acetic acid;acetyl acetate;dihydroxy(oxo)phosphanium has a molecular weight of 243.13 g/mol, XLogP of -0.18, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;acetyl acetate;dihydroxy(oxo)phosphanium is sourced from PubChem (CID 126843366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).