CID 142756508

C2H4BO4 — CID 142756508

IUPAC—
SMILESCC(=O)OO[B]O
InChIInChI=1S/C2H4BO4/c1-2(4)6-7-3-5/h5H,1H3
InChIKeyZLUBZZSBUTUXGM-UHFFFAOYSA-N
MW102.86 g/mol
LogP-0.99
Rot. Bonds2

About CID 142756508

CID 142756508 (PubChem CID 142756508) has the molecular formula C2H4BO4 and a molecular weight of 102.86 g/mol.

Molecular Properties

Compound NameCID 142756508
PubChem CID142756508
Molecular FormulaC2H4BO4
Molecular Weight102.86 g/mol
Exact Mass103.02
IUPAC Name—
SMILESCC(=O)OO[B]O
InChIInChI=1S/C2H4BO4/c1-2(4)6-7-3-5/h5H,1H3
InChIKeyZLUBZZSBUTUXGM-UHFFFAOYSA-N
XLogP-0.99
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.86
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze CID 142756508 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

acetyl ethaneperoxoate;propan-2-one
CID 21225532
acetyl ethaneperoxoate;rhodium
CID 175911498
acetyl ethaneperoxoate;ethane
CID 91004145
acetic acid;acetyl acetate;oxoborinic acid
CID 88675816
acetyloxyperoxy ethaneperoxoate
CID 171629895
CID 160689228
CID 160689228
acetyl acetate;chromium(2+)
CID 19978523
acetyl acetate;hydrochloride
CID 87138027
methane;methyl ethaneperoxoate
CID 158693501
λ2-plumbane;methyl ethaneperoxoate
CID 173188596
hydroxy ethaneperoxoate;titanium
CID 88636548
2,3-bis(acetylperoxy)butanedioic acid
CID 174892371

Frequently Asked Questions

What is the IUPAC name of CID 142756508?
The IUPAC name of CID 142756508 (CID 142756508) is not available.
What is the SMILES notation for CID 142756508?
The canonical SMILES for CID 142756508 is CC(=O)OO[B]O.
What is the InChIKey of CID 142756508?
The InChIKey is ZLUBZZSBUTUXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4BO4/c1-2(4)6-7-3-5/h5H,1H3.
What are the key properties of CID 142756508?
CID 142756508 has a molecular weight of 102.86 g/mol, XLogP of -0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142756508 is sourced from PubChem (CID 142756508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).