(4-OXO-3,4-DIHYDROPHTHALAZIN-1-YL)ACETIC ACID

The 1-Phthalazineaceticacid, 3,4-dihydro-4-oxo-, with the CAS registry number 25947-11-9, is also known as 1-Phthalazineacetic acid, 4-hydroxy-. It belongs to the product categories of Acetics acid and esters. This chemical's molecular formula is C₁₀H₈N₂O₃ and molecular weight is 204.18. What's more, its systematic name is (4-Oxo-3,4-dihydrophthalazin-1-yl)acetic acid.

Physical properties of 1-Phthalazineaceticacid, 3,4-dihydro-4-oxo- are: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.83; (4)ACD/LogD (pH 7.4): -3.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.97 Å²; (13)Index of Refraction: 1.681; (14)Molar Refractivity: 52.19 cm³; (15)Molar Volume: 137.8 cm³; (16)Polarizability: 20.69×10^-24 cm³; (17)Surface Tension: 62.3 dyne/cm; (18)Density: 1.48 g/cm³.

Uses of 1-Phthalazineaceticacid, 3,4-dihydro-4-oxo-: it can be used to produce (4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid methyl ester at the ambient temperature. It will need reagent K₂CO₃ and solvents H₂O, hexamethylphosphoric acid triamide with the reaction time of 1 hour. The yield is about 61%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)O
(2)InChI: InChI=1S/C10H8N2O3/c13-9(14)5-8-6-3-1-2-4-7(6)10(15)12-11-8/h1-4H,5H2,(H,12,15)(H,13,14)
(3)InChIKey: ZEDQLIHBPGNGEC-UHFFFAOYSA-N