ethyl 2-amino-6-hydroxybenzoate

• ChemBase ID: 289427
• Molecular Formular: C9H11NO3
• Molecular Mass: 181.18854
• Monoisotopic Mass: 181.07389322
• SMILES: CCOC(=O)c1c(N)cccc1O
• Canonical SMILES: CCOC(=O)c1c(N)cccc1O
• InChI: InChI=1S/C9H11NO3/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5,11H,2,10H2,1H3
• InChIKey: WMPIXNYJHKHSJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-amino-6-hydroxybenzoate
• IUPAC Traditional name: ethyl 2-amino-6-hydroxybenzoate
• Synonyms: Ethyl 2-amino-6-hydroxybenzoate

Database IDs

• CAS Number: 64241-02-7
• PubChem SID: 180674958
• PubChem CID: 70700315

CALCULATED PROPERTIES

• Acid pKa: 10.022144
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.5009215
• LogD (pH = 7.4): 2.5000103
• Log P: 2.5010395
• Molar Refractivity: 49.5132 cm^3
• Polarizability: 18.362984 Å^3
• Polar Surface Area: 72.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%