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5-Methoxy -isatoic anhydride

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Name

5-Methoxy -isatoic anhydride

EINECS N/A
CAS No. 37795-77-0 Density 1.376 g/cm3
PSA 72.30000 LogP 0.48990
Solubility N/A Melting Point 244-246℃ (decomposition)
Formula C9H7NO4 Boiling Point N/A
Molecular Weight 193.159 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 37795-77-0 (5-METHOXY -ISATOIC ANHYDRIDE) Hazard Symbols N/A
Synonyms

6-Methoxy-1H-benzo[d][1,3]oxazine-2,4-dione;6-Methoxy-4H-3,1-benzoxazine-2,4(1H)-dione;NSC 163035;

Article Data 43

5-Methoxy -isatoic anhydride 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

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