4-(methoxymethoxy)benzoic acid

• ChemBase ID: 309812
• Molecular Formular: C9H10O4
• Molecular Mass: 182.1733
• Monoisotopic Mass: 182.0579088
• SMILES: C(=O)(c1ccc(cc1)OCOC)O
• Canonical SMILES: COCOc1ccc(cc1)C(=O)O
• InChI: InChI=1S/C9H10O4/c1-12-6-13-8-4-2-7(3-5-8)9(10)11/h2-5H,6H2,1H3,(H,10,11)
• InChIKey: XIFRBTZCMICRPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(methoxymethoxy)benzoic acid
• IUPAC Traditional name: 4-(methoxymethoxy)benzoic acid
• Synonyms: 4-(methoxymethoxy)benzoic acid

Database IDs

• MDL Number: MFCD21101751

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.33690307
• LogD (pH = 7.4): -1.4069401
• Log P: 1.5362829
• Molar Refractivity: 45.6304 cm^3
• Polarizability: 17.755568 Å^3
• Polar Surface Area: 55.76 Å^2