CID 22957452

C3H3O2+ — CID 22957452

IUPAC—
SMILESO=CC1[CH+]O1
InChIInChI=1S/C3H3O2/c4-1-3-2-5-3/h1-3H/q+1
InChIKeyRLFSIMBSSPMIKD-UHFFFAOYSA-N
MW71.06 g/mol
LogP-0.25
Rot. Bonds1

About CID 22957452

CID 22957452 (PubChem CID 22957452) has the molecular formula C3H3O2+ and a molecular weight of 71.06 g/mol.

Molecular Properties

Compound NameCID 22957452
PubChem CID22957452
Molecular FormulaC3H3O2+
Molecular Weight71.06 g/mol
Exact Mass71.01
IUPAC Name—
SMILESO=CC1[CH+]O1
InChIInChI=1S/C3H3O2/c4-1-3-2-5-3/h1-3H/q+1
InChIKeyRLFSIMBSSPMIKD-UHFFFAOYSA-N
XLogP-0.25
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50071.06
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 22957452?
The IUPAC name of CID 22957452 (CID 22957452) is not available.
What is the SMILES notation for CID 22957452?
The canonical SMILES for CID 22957452 is O=CC1[CH+]O1.
What is the InChIKey of CID 22957452?
The InChIKey is RLFSIMBSSPMIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3O2/c4-1-3-2-5-3/h1-3H/q+1.
What are the key properties of CID 22957452?
CID 22957452 has a molecular weight of 71.06 g/mol, XLogP of -0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22957452 is sourced from PubChem (CID 22957452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).