CID 5359496

C2HO4 — CID 5359496

IUPAC—
SMILES[O]C(=O)C(=O)O
InChIInChI=1S/C2HO4/c3-1(4)2(5)6/h(H,3,4)
InChIKeyJKWSJDGFPZLUSP-UHFFFAOYSA-N
MW89.03 g/mol
LogP-0.97
Rot. Bonds

About CID 5359496

CID 5359496 (PubChem CID 5359496) has the molecular formula C2HO4 and a molecular weight of 89.03 g/mol.

Molecular Properties

Compound NameCID 5359496
PubChem CID5359496
Molecular FormulaC2HO4
Molecular Weight89.03 g/mol
Exact Mass88.99
IUPAC Name—
SMILES[O]C(=O)C(=O)O
InChIInChI=1S/C2HO4/c3-1(4)2(5)6/h(H,3,4)
InChIKeyJKWSJDGFPZLUSP-UHFFFAOYSA-N
XLogP-0.97
TPSA74.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.03
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 5359496?
The IUPAC name of CID 5359496 (CID 5359496) is not available.
What is the SMILES notation for CID 5359496?
The canonical SMILES for CID 5359496 is [O]C(=O)C(=O)O.
What is the InChIKey of CID 5359496?
The InChIKey is JKWSJDGFPZLUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HO4/c3-1(4)2(5)6/h(H,3,4).
What are the key properties of CID 5359496?
CID 5359496 has a molecular weight of 89.03 g/mol, XLogP of -0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5359496 is sourced from PubChem (CID 5359496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).