CID 58094720

C4H4O3 — CID 58094720

About CID 58094720

CID 58094720 (PubChem CID 58094720) has the molecular formula C4H4O3 and a molecular weight of 100.07 g/mol.

Molecular Properties

• Compound Name: CID 58094720
• PubChem CID: 58094720
• Molecular Formula: C4H4O3
• Molecular Weight: 100.07 g/mol
• Exact Mass: 100.02
• IUPAC Name: —
• SMILES: [CH]C(=O)CC(=O)O
• InChI: InChI=1S/C4H4O3/c1-3(5)2-4(6)7/h1H,2H2,(H,6,7)
• InChIKey: OMRLNRIPWKJCRB-UHFFFAOYSA-N
• XLogP: -0.26
• TPSA: 54.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 7
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	100.07
LogP ≤ 5	-0.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 58094720?

The IUPAC name of CID 58094720 (CID 58094720) is not available.

What is the SMILES notation for CID 58094720?

The canonical SMILES for CID 58094720 is [CH]C(=O)CC(=O)O.

What is the InChIKey of CID 58094720?

The InChIKey is OMRLNRIPWKJCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O3/c1-3(5)2-4(6)7/h1H,2H2,(H,6,7).

What are the key properties of CID 58094720?

CID 58094720 has a molecular weight of 100.07 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for CID 58094720 is sourced from PubChem (CID 58094720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).