4-hydrazinyl-3-hydroxynaphthalene-2-carboxylic acid

• ChemBase ID: 311716
• Molecular Formular: C11H10N2O3
• Molecular Mass: 218.2087
• Monoisotopic Mass: 218.06914219
• SMILES: c1(c(c(c2c(c1)cccc2)NN)O)C(=O)O
• Canonical SMILES: NNc1c(O)c(cc2c1cccc2)C(=O)O
• InChI: InChI=1S/C11H10N2O3/c12-13-9-7-4-2-1-3-6(7)5-8(10(9)14)11(15)16/h1-5,13-14H,12H2,(H,15,16)
• InChIKey: JWZBLYCUKDQOJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-3-hydroxynaphthalene-2-carboxylic acid
• IUPAC Traditional name: 4-hydrazinyl-3-hydroxynaphthalene-2-carboxylic acid
• Synonyms: 4-hydrazino-3-hydroxy-2-naphthoic acid

Database IDs

• CAS Number: 333395-43-0
• MDL Number: MFCD00994842

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): 0.054665573
• LogD (pH = 7.4): -0.91334516
• Log P: 0.12328616
• Molar Refractivity: 61.452 cm^3
• Polarizability: 23.321293 Å^3
• Polar Surface Area: 95.58 Å^2