CID 170848815

C3H5O3 — CID 170848815

About CID 170848815

CID 170848815 (PubChem CID 170848815) has the molecular formula C3H5O3 and a molecular weight of 89.07 g/mol.

Molecular Properties

• Compound Name: CID 170848815
• PubChem CID: 170848815
• Molecular Formula: C3H5O3
• Molecular Weight: 89.07 g/mol
• Exact Mass: 89.02
• IUPAC Name: —
• SMILES: O=[C]OCCO
• InChI: InChI=1S/C3H5O3/c4-1-2-6-3-5/h4H,1-2H2
• InChIKey: OLZUUBDZAZZCGI-UHFFFAOYSA-N
• XLogP: -0.94
• TPSA: 46.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 6
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	89.07
LogP ≤ 5	-0.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 170848815?

The IUPAC name of CID 170848815 (CID 170848815) is not available.

What is the SMILES notation for CID 170848815?

The canonical SMILES for CID 170848815 is O=[C]OCCO.

What is the InChIKey of CID 170848815?

The InChIKey is OLZUUBDZAZZCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5O3/c4-1-2-6-3-5/h4H,1-2H2.

What are the key properties of CID 170848815?

CID 170848815 has a molecular weight of 89.07 g/mol, XLogP of -0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for CID 170848815 is sourced from PubChem (CID 170848815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).