CAS No.3260-44-4,4-Hydroxyphthalazine-1-carboxylicacid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3260-44-4
Name:	4-Hydroxyphthalazine-1-carboxylicacid

Formula:	C₉H₆N₂O₃
Molecular Weight:	190.158
Synonyms:	4-Oxo-3,4-dihydrophthalazine-1-carboxylic acid;4-Hydroxyphthalazine-1-carboxylic acid;4-oxo-3,4-dihydro-1-phthalazinecarboxylic acid;
Density:	1.56 g/cm³
Melting Point:	591.8 °C at 760 mmHg
Boiling Point:	591.8°Cat760mmHg
Flash Point:	311.7 °C
PSA:	83.05000
LogP:	0.62130

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Specification

The 1-Phthalazinecarboxylicacid, 3,4-dihydro-4-oxo-, with the CAS registry number 3260-44-4, is also known as 4-Hydroxyphthalazine-1-carboxylic acid. This chemical's molecular formula is C₉H₆N₂O₃ and molecular weight is 190.16. What's more, its systematic name is 4-Oxo-3,4-dihydrophthalazine-1-carboxylic acid.

Physical properties of 1-Phthalazinecarboxylicacid, 3,4-dihydro-4-oxo- are: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.39; (4)ACD/LogD (pH 7.4): -3.55; (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: 1; (12)Polar Surface Area: 58.97 Å²; (13)Index of Refraction: 1.71; (14)Molar Refractivity: 47.58 cm³; (15)Molar Volume: 121.7 cm³; (16)Polarizability: 18.86×10^-24 cm³; (17)Surface Tension: 67.4 dyne/cm; (18)Density: 1.56 g/cm³; (19)Flash Point: 311.7 °C; (20)Enthalpy of Vaporization: 92.83 kJ/mol; (21)Boiling Point: 591.8 °C at 760 mmHg; (22)Vapour Pressure: 7.5E-15 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C/1=N/NC(=O)c2ccccc\12
(2)InChI: InChI=1/C9H6N2O3/c12-8-6-4-2-1-3-5(6)7(9(13)14)10-11-8/h1-4H,(H,11,12)(H,13,14)
(3)InChIKey: YHNOBCUFJJRVOP-UHFFFAOYAY