carboxy-methoxy-oxophosphanium

C2H4O4P+ — CID 23420969

IUPACcarboxy-methoxy-oxophosphanium
SMILESCO[P+](=O)C(=O)O
InChIInChI=1S/C2H3O4P/c1-6-7(5)2(3)4/h1H3/p+1
InChIKeyPBXRYJZZXAMKKA-UHFFFAOYSA-O
MW123.02 g/mol
LogP1.05
Rot. Bonds2

About carboxy-methoxy-oxophosphanium

carboxy-methoxy-oxophosphanium (PubChem CID 23420969) has the molecular formula C2H4O4P+ and a molecular weight of 123.02 g/mol. Its IUPAC name is carboxy-methoxy-oxophosphanium.

Molecular Properties

Compound Namecarboxy-methoxy-oxophosphanium
PubChem CID23420969
Molecular FormulaC2H4O4P+
Molecular Weight123.02 g/mol
Exact Mass122.98
IUPAC Namecarboxy-methoxy-oxophosphanium
SMILESCO[P+](=O)C(=O)O
InChIInChI=1S/C2H3O4P/c1-6-7(5)2(3)4/h1H3/p+1
InChIKeyPBXRYJZZXAMKKA-UHFFFAOYSA-O
XLogP1.05
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.02
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methoxy-oxo-(2-oxopropanimidoyl)phosphanium
CID 123380694
hydroperoxy-methyl-oxophosphanium
CID 18335943
acetic acid;ruthenium
CID 175502908
dimethoxy(oxo)phosphanium;hydron
CID 174585571
carbonic acid;methyl hydrogen carbonate
CID 175554276
acetic acid;dimethylphosphoryloxymethane
CID 174989212
hydroxy-methoxy-oxophosphanium;propanamide
CID 158251379
1,1'-biphenyl;methoxy-methyl-oxophosphanium
CID 91013313
carbonic acid;ruthenium
CID 87059075
methyl hydrogen carbonate;propan-2-one
CID 157174234
sodium methoxy-oxido-oxophosphanium
CID 23678289
aluminum tris(methoxy-oxido-oxophosphanium)
CID 160728321

Frequently Asked Questions

What is the IUPAC name of carboxy-methoxy-oxophosphanium?
The IUPAC name of carboxy-methoxy-oxophosphanium (CID 23420969) is carboxy-methoxy-oxophosphanium.
What is the SMILES notation for carboxy-methoxy-oxophosphanium?
The canonical SMILES for carboxy-methoxy-oxophosphanium is CO[P+](=O)C(=O)O.
What is the InChIKey of carboxy-methoxy-oxophosphanium?
The InChIKey is PBXRYJZZXAMKKA-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H3O4P/c1-6-7(5)2(3)4/h1H3/p+1.
What are the key properties of carboxy-methoxy-oxophosphanium?
carboxy-methoxy-oxophosphanium has a molecular weight of 123.02 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy-methoxy-oxophosphanium is sourced from PubChem (CID 23420969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).