4-hydroxy-3-methoxybenzohydrazide

• ChemBase ID: 25818
• Molecular Formular: C8H10N2O3
• Molecular Mass: 182.1766
• Monoisotopic Mass: 182.06914219
• SMILES: C(=O)(c1cc(c(cc1)O)OC)NN
• Canonical SMILES: NNC(=O)c1ccc(c(c1)OC)O
• InChI: InChI=1S/C8H10N2O3/c1-13-7-4-5(8(12)10-9)2-3-6(7)11/h2-4,11H,9H2,1H3,(H,10,12)
• InChIKey: AWVJTGNFMZKXDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxy-3-methoxybenzohydrazide
• IUPAC Traditional name: 4-hydroxy-3-methoxybenzohydrazide
• Synonyms: 4-Hydroxy-3-methoxybenzohydrazide; 4-Hydroxy-3-methoxybenzhydrazide; Vanillic acid hydrazide; 香草酸肼

Database IDs

• CAS Number: 100377-63-7
• MDL Number: MFCD00017076
• Beilstein Number: 3268276
• PubChem SID: 160989125
• PubChem CID: 468601

CALCULATED PROPERTIES

• Acid pKa: 8.892281
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.06508823
• LogD (pH = 7.4): 0.052504443
• Log P: 0.06617383
• Molar Refractivity: 48.0646 cm^3
• Polarizability: 17.762611 Å^3
• Polar Surface Area: 84.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 210-212°C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98+%