CID 91197017

C4H7O2P — CID 91197017

IUPAC—
SMILESC=CO/[P+]([O-])=C/C
InChIInChI=1S/C4H7O2P/c1-3-6-7(5)4-2/h3-4H,1H2,2H3
InChIKeyWVJPOSLEDZKQTK-UHFFFAOYSA-N
MW118.07 g/mol
LogP0.64
Rot. Bonds2

About CID 91197017

CID 91197017 (PubChem CID 91197017) has the molecular formula C4H7O2P and a molecular weight of 118.07 g/mol.

Molecular Properties

Compound NameCID 91197017
PubChem CID91197017
Molecular FormulaC4H7O2P
Molecular Weight118.07 g/mol
Exact Mass118.02
IUPAC Name—
SMILESC=CO/[P+]([O-])=C/C
InChIInChI=1S/C4H7O2P/c1-3-6-7(5)4-2/h3-4H,1H2,2H3
InChIKeyWVJPOSLEDZKQTK-UHFFFAOYSA-N
XLogP0.64
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.07
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 91197017?
The IUPAC name of CID 91197017 (CID 91197017) is not available.
What is the SMILES notation for CID 91197017?
The canonical SMILES for CID 91197017 is C=CO/[P+]([O-])=C/C.
What is the InChIKey of CID 91197017?
The InChIKey is WVJPOSLEDZKQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O2P/c1-3-6-7(5)4-2/h3-4H,1H2,2H3.
What are the key properties of CID 91197017?
CID 91197017 has a molecular weight of 118.07 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91197017 is sourced from PubChem (CID 91197017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).