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Basic Information
CAS No.: 281232-88-0
Name: 4-(6-Methoxypyridazin-3-yl)benzoic acid
Article Data: 2
Molecular Structure:
Molecular Structure of 281232-88-0 (4-(6-Methoxypyridazin-3-yl)benzoic acid)
Formula: C12H10N2O3
Molecular Weight: 230.22
Synonyms: Benzoic acid,4-(6-methoxy-3-pyridazinyl)-;4-(6-Methoxy-3-pyridazinyl)benzoic acid;
Density: 1.296 g/cm3
Boiling Point: 497.284 °C at 760 mmHg
Flash Point: 254.549 °C
PSA: 72.31000
LogP: 1.85040
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Specification

The 4-(6-Methoxypyridazin-3-yl)benzoic acid, with the CAS registry number 281232-88-0, is also known as Benzoic acid,4-(6-methoxy-3-pyridazinyl)-. This chemical's molecular formula is C12H10N2O3 and molecular weight is 230.22. What's more, its systematic name is 4-(6-Methoxy-3-pyridazinyl)benzoic acid.

Physical properties of 4-(6-Methoxypyridazin-3-yl)benzoic acid are: (1)ACD/LogP: 1.671; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.23; (4)ACD/LogD (pH 7.4): -1.40; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 2.44 ; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.31 Å2; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 60.636 cm3; (15)Molar Volume: 177.697 cm3; (16)Polarizability: 24.038×10-24cm3; (17)Surface Tension: 56.75 dyne/cm; (18)Density: 1.296 g/cm3; (19)Flash Point: 254.549 °C; (20)Enthalpy of Vaporization: 80.586 kJ/mol; (21)Boiling Point: 497.284 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2ccc(c1nnc(OC)cc1)cc2
(2)Std. InChI: InChI=1S/C12H10N2O3/c1-17-11-7-6-10(13-14-11)8-2-4-9(5-3-8)12(15)16/h2-7H,1H3,(H,15,16)
(3)Std. InChIKey: VNZFOYFVDMNGDM-UHFFFAOYSA-N