2-(oxan-2-ylmethoxy)acetic acid

• ChemBase ID: 307076
• Molecular Formular: C8H14O4
• Molecular Mass: 174.19436
• Monoisotopic Mass: 174.08920893
• SMILES: C(=O)(O)COCC1OCCCC1
• Canonical SMILES: OC(=O)COCC1CCCCO1
• InChI: InChI=1S/C8H14O4/c9-8(10)6-11-5-7-3-1-2-4-12-7/h7H,1-6H2,(H,9,10)
• InChIKey: DHQDMQIHHQMTMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxan-2-ylmethoxy)acetic acid
• IUPAC Traditional name: (oxan-2-ylmethoxy)acetic acid
• Synonyms: (tetrahydro-2H-pyran-2-ylmethoxy)acetic acid

Database IDs

• CAS Number: 876716-61-9
• MDL Number: MFCD07643237

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0285048
• LogD (pH = 7.4): -2.6841722
• Log P: 0.46569043
• Molar Refractivity: 41.9528 cm^3
• Polarizability: 16.729769 Å^3
• Polar Surface Area: 55.76 Å^2