2-(oxolan-3-yloxy)acetic acid

• ChemBase ID: 286436
• Molecular Formular: C6H10O4
• Molecular Mass: 146.1412
• Monoisotopic Mass: 146.0579088
• SMILES: C(=O)(COC1CCOC1)O
• Canonical SMILES: OC(=O)COC1COCC1
• InChI: InChI=1S/C6H10O4/c7-6(8)4-10-5-1-2-9-3-5/h5H,1-4H2,(H,7,8)
• InChIKey: ZZEMYDVVPYLDBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxolan-3-yloxy)acetic acid
• IUPAC Traditional name: (oxolan-3-yloxy)acetic acid
• Synonyms: 2-(oxolan-3-yloxy)acetic acid

Database IDs

• MDL Number: MFCD11520463
• PubChem SID: 180671967
• PubChem CID: 63556415

CALCULATED PROPERTIES

• Acid pKa: 3.7770462
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.2206087
• LogD (pH = 7.4): -3.7690144
• Log P: -0.4962409
• Molar Refractivity: 32.7072 cm^3
• Polarizability: 13.101962 Å^3
• Polar Surface Area: 55.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.367

Product Information

• Purity: 95%