methyl 6-amino-2,3-dimethoxybenzoate

• ChemBase ID: 815595
• Molecular Formular: C10H13NO4
• Molecular Mass: 211.21452
• Monoisotopic Mass: 211.0844579
• SMILES: c1(C(=O)OC)c(c(ccc1N)OC)OC
• Canonical SMILES: COC(=O)c1c(N)ccc(c1OC)OC
• InChI: InChI=1S/C10H13NO4/c1-13-7-5-4-6(11)8(9(7)14-2)10(12)15-3/h4-5H,11H2,1-3H3
• InChIKey: DUHBPHGFVPNYHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 6-amino-2,3-dimethoxybenzoate
• IUPAC Traditional name: methyl 6-amino-2,3-dimethoxybenzoate
• Synonyms: methyl 6-amino-2,3-dimethoxybenzoate

Database IDs

• CAS Number: 128823-83-6

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4818987
• LogD (pH = 7.4): 1.4824473
• Log P: 1.4824543
• Molar Refractivity: 55.7101 cm^3
• Polarizability: 20.978382 Å^3
• Polar Surface Area: 70.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%