1,3-dioxa-2-beryllacyclopentane-4,5-dione

• ChemBase ID: 109249
• Molecular Formular: C2BeO4
• Molecular Mass: 97.031182
• Monoisotopic Mass: 96.99184068
• SMILES: O=C1O[Be]OC1=O
• Canonical SMILES: O=C1O[Be]OC1=O
• InChI: InChI=1S/C2H2O4.Be/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2
• InChIKey: XQZGLPVUHKSNBQ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dioxa-2-beryllacyclopentane-4,5-dione
• IUPAC Traditional name: 1,3-dioxa-2-beryllacyclopentane-4,5-dione
• Synonyms: BERYLLIUM OXALATE

Database IDs

• PubChem SID: 162106258
• PubChem CID: 44135781

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3814
• LogD (pH = 7.4): 1.3814
• Log P: 1.3814
• Molar Refractivity: 12.5834 cm^3
• Polarizability: 7.019946 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05210337

MP Biomedicals Rare Chemical collection