3-MORPHOLINOBENZOIC ACID

The Benzoic acid,3-(4-morpholinyl)-, with the CAS registry number of 215309-00-5, is also known as 3-(Morpholin-4-yl)benzoic acid, 97%. It belongs to the product categories of Acids and Derivatives; Amines and Anilines; Pharmacetical. This chemical's molecular formula is C₁₁H₁₃NO₃ and molecular weight is 207.23. What's more, its IUPAC name is 3-Morpholin-4-ylbenzoic acid.

Physical properties about the Benzoic acid,3-(4-morpholinyl)- are: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.11; (4)ACD/LogD (pH 7.4): -1.63; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 6.29; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 38.77 Å²; (12)Index of Refraction: 1.579; (13)Molar Refractivity: 54.99 cm³; (14)Molar Volume: 165.2 cm³; (15)Surface Tension: 50.9 dyne/cm; (16)Density: 1.253 g/cm³; (17)Flash Point: 208.1 °C; (18)Enthalpy of Vaporization: 71.1 kJ/mol; (19)Boiling Point: 420.5 °C at 760 mmHg; (20)Vapour Pressure: 8.01E-08 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. The dust of this chemical can not be breathed. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cc(ccc1)N2CCOCC2
(2) InChI: InChI=1/C11H13NO3/c13-11(14)9-2-1-3-10(8-9)12-4-6-15-7-5-12/h1-3,8H,4-7H2,(H,13,14)
(3) InChIKey: VSKFQESEPGOWBS-UHFFFAOYAL