3,5-dimethoxybenzohydrazide

• ChemBase ID: 8408
• Molecular Formular: C9H12N2O3
• Molecular Mass: 196.20318
• Monoisotopic Mass: 196.08479225
• SMILES: c1(C(=O)NN)cc(cc(c1)OC)OC
• Canonical SMILES: NNC(=O)c1cc(OC)cc(c1)OC
• InChI: InChI=1S/C9H12N2O3/c1-13-7-3-6(9(12)11-10)4-8(5-7)14-2/h3-5H,10H2,1-2H3,(H,11,12)
• InChIKey: DOWVACHORBOSEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethoxybenzohydrazide
• IUPAC Traditional name: 3,5-dimethoxybenzoyl hydrazine
• Synonyms: 3,5-Dimethoxybenzhydrazide

Database IDs

• CAS Number: 51707-38-1
• MDL Number: MFCD00017062
• PubChem SID: 160971715
• PubChem CID: 352312

CALCULATED PROPERTIES

• Acid pKa: 13.655929
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.21125698
• LogD (pH = 7.4): 0.21205746
• Log P: 0.21206789
• Molar Refractivity: 52.5469 cm^3
• Polarizability: 19.658787 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 172-175°C

Safety Information

• TSCA Listed: false