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128076-63-1

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Basic Information
CAS No.: 128076-63-1
Name: 7-METHOXY-1H-BENZO[D][1,3] OXAZINE-2,4-DIONE
Article Data: 15
Molecular Structure:
Molecular Structure of 128076-63-1 (7-METHOXY-1H-BENZO[D][1,3] OXAZINE-2,4-DIONE)
Formula: C9H7NO4
Molecular Weight: 193.159
Synonyms: 7-Methoxyisatoicanhydride;7-Methoxy-1h-benzo[d][1,3] oxazine-2,4-dione;
Density: 1.376 g/cm3
PSA: 72.30000
LogP: 0.48990
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Specification

The CAS register number of 2H-3,1-Benzoxazine-2,4(1H)-dione, 7-methoxy- is 128076-63-1. It also can be called as 7-Methoxyisatoicanhydride and the systematic name about this chemical is 7-methoxy-1H-3,1-benzoxazine-2,4-dione. The molecular formula about this chemical is C9H7NO4 and the molecular weight is 193.16.

Physical properties about 2H-3,1-Benzoxazine-2,4(1H)-dione, 7-methoxy- are: (1)ACD/LogP: 0.97; (2)ACD/LogD (pH 5.5): 0.971; (3)ACD/LogD (pH 7.4): 0.971; (4)ACD/BCF (pH 5.5): 3.221; (5)ACD/BCF (pH 7.4): 3.218; (6)ACD/KOC (pH 5.5): 80.394; (7)ACD/KOC (pH 7.4): 80.315; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 64.63 Å2; (12)Index of Refraction: 1.565; (13)Molar Refractivity: 45.708 cm3; (14)Molar Volume: 140.336 cm3; (15)Polarizability: 18.12x10-24cm3; (16)Surface Tension: 48.321 dyne/cm; (17)Density: 1.376 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc2c(c1)[nH]c(=O)oc2=O
(2)InChI: InChI=1/C9H7NO4/c1-13-5-2-3-6-7(4-5)10-9(12)14-8(6)11/h2-4H,1H3,(H,10,12)
(3)InChIKey: XAJRDVIVFVGXNN-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H7NO4/c1-13-5-2-3-6-7(4-5)10-9(12)14-8(6)11/h2-4H,1H3,(H,10,12)
(5)Std. InChIKey: XAJRDVIVFVGXNN-UHFFFAOYSA-N