Specification: |
The 7-Methoxy-1,3-benzoxazine-2,4-dione, with the cas registry number 37895-24-2, has its systematic name of 7-methoxy-2H-1,3-benzoxazine-2,4(3H)-dione. This chemical is usually used as the pharmaceutic intermediate.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.24; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 66; (7)ACD/KOC (pH 7.4): 66; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 64.63; (12)Index of Refraction: 1.565; (13)Molar Refractivity: 45.708 cm3; (14)Molar Volume: 140.336 cm3; (15)Polarizability: 18.12 ×10-24 cm3; (16)Surface Tension: 48.321 dyne/cm; (17)Density: 1.376 g/cm3.
Addtionally, the following datas could be converted inte the molecular structure:
(1)SMILES:COc1ccc2c(c1)OC(=O)NC2=O
(2)InChI:InChI=1/C9H7NO4/c1-13-5-2-3-6-7(4-5)14-9(12)10-8(6)11/h2-4H,1H3,(H,10,11,12)
(3)InChIKey:YFURRWKTIKKJEF-UHFFFAOYAB
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