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| CAS No.: | 37795-77-0 |
|---|---|
| Name: | 5-METHOXY -ISATOIC ANHYDRIDE |
| Molecular Structure: | |
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| Formula: | C9H7NO4 |
| Molecular Weight: | 193.159 |
| Synonyms: | 6-Methoxy-1H-benzo[d][1,3]oxazine-2,4-dione;6-Methoxy-4H-3,1-benzoxazine-2,4(1H)-dione;NSC 163035; |
| Density: | 1.376 g/cm3 |
| Melting Point: | 244-246℃ (decomposition) |
| PSA: | 72.30000 |
| LogP: | 0.48990 |
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Specification
The 2H-3,1-Benzoxazine-2,4(1H)-dione,6-methoxy-, with CAS registry number 37795-77-0, has the systematic name of 6-methoxy-2H-3,1-benzoxazine-2,4(1H)-dione. Besides this, it is also called 5-Methoxy -isatoic anhydride. And the chemical formula of this chemical is C9H7NO4.
Physical properties of 2H-3,1-Benzoxazine-2,4(1H)-dione,6-methoxy-: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)ACD/LogD (pH 7.4): 0.82; (5)ACD/BCF (pH 5.5): 2.47; (6)ACD/BCF (pH 7.4): 2.47; (7)ACD/KOC (pH 5.5): 66.54; (8)ACD/KOC (pH 7.4): 66.48; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 45.7 cm3; (15)Molar Volume: 140.3 cm3; (16)Polarizability: 18.12×10-24cm3; (17)Surface Tension: 48.3 dyne/cm; (18)Density: 1.376 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC(=O)Nc2ccc(OC)cc12
(2)InChI: InChI=1/C9H7NO4/c1-13-5-2-3-7-6(4-5)8(11)14-9(12)10-7/h2-4H,1H3,(H,10,12)
(3)InChIKey: JFAFNQOODJCVGT-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H7NO4/c1-13-5-2-3-7-6(4-5)8(11)14-9(12)10-7/h2-4H,1H3,(H,10,12)
(5)Std. InChIKey: JFAFNQOODJCVGT-UHFFFAOYSA-N