CID 170520162

C4H4O4 — CID 170520162

IUPAC—
SMILES[CH]OC(=O)CC(=O)O
InChIInChI=1S/C4H4O4/c1-8-4(7)2-3(5)6/h1H,2H2,(H,5,6)
InChIKeyXJXPVTXGMMAMPW-UHFFFAOYSA-N
MW116.07 g/mol
LogP-0.33
Rot. Bonds2

About CID 170520162

CID 170520162 (PubChem CID 170520162) has the molecular formula C4H4O4 and a molecular weight of 116.07 g/mol.

Molecular Properties

Compound NameCID 170520162
PubChem CID170520162
Molecular FormulaC4H4O4
Molecular Weight116.07 g/mol
Exact Mass116.01
IUPAC Name—
SMILES[CH]OC(=O)CC(=O)O
InChIInChI=1S/C4H4O4/c1-8-4(7)2-3(5)6/h1H,2H2,(H,5,6)
InChIKeyXJXPVTXGMMAMPW-UHFFFAOYSA-N
XLogP-0.33
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.07
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 170520162 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-carboxyacetyl)peroxy-3-oxopropanoic acid
CID 175368500
ethane;3-methoxy-3-oxopropanoic acid
CID 91567189
acetic acid;3-methoxy-3-oxopropanoic acid
CID 162325440
3-(dihydroxymethoxy)-3-oxopropanoic acid
CID 87524206
CID 59894625
CID 59894625
propanedioic acid;terbium
CID 87785742
CID 87073401
CID 87073401
propanedioic acid;tungsten
CID 22081019
3-[6-(2-carboxyacetyl)oxyhexoxy]-3-oxopropanoic acid
CID 172802293
azane;3-ethoxy-3-oxopropanoic acid
CID 173322885
zinc 3-ethoxy-3-oxopropanoic acid
CID 24997498
3-ethoxy-3-oxopropanoic acid chloride
CID 21107838

Frequently Asked Questions

What is the IUPAC name of CID 170520162?
The IUPAC name of CID 170520162 (CID 170520162) is not available.
What is the SMILES notation for CID 170520162?
The canonical SMILES for CID 170520162 is [CH]OC(=O)CC(=O)O.
What is the InChIKey of CID 170520162?
The InChIKey is XJXPVTXGMMAMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O4/c1-8-4(7)2-3(5)6/h1H,2H2,(H,5,6).
What are the key properties of CID 170520162?
CID 170520162 has a molecular weight of 116.07 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170520162 is sourced from PubChem (CID 170520162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).