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4821-94-7

Basic Information
CAS No.: 4821-94-7
Name: 4,5-diMethoxy-phthalic anhydride,
Article Data: 1
Molecular Structure:
Molecular Structure of 4821-94-7 (4,5-diMethoxy-phthalic anhydride,)
Formula: C10H8O5
Molecular Weight: 208.171
Synonyms: 1,3-Isobenzofurandione, 5,6-dimethoxy-;m-Hemipic anhydride;
Density: 1.383 g/cm3
Melting Point: 175 °C
Boiling Point: 382.267 °C at 760 mmHg
Flash Point: 174.104 °C
PSA: 61.83000
LogP: 1.01440
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Specification

5,6-Dimethoxy-2-benzofuran-1,3-dione is an organic compound with the formula C10H8O5, and its systematic name is the same with the product name. With the CAS registry number 4821-94-7, it is also named as 1,3-Isobenzofurandione, 5,6-dimethoxy-. In addition, the molecular weight is 208.04. 

Physical properties of 5,6-Dimethoxy-2-benzofuran-1,3-dione are: (1)ACD/LogP: 1.337; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.34; (4)ACD/LogD (pH 7.4): 1.34; (5)ACD/BCF (pH 5.5): 6.11; (6)ACD/BCF (pH 7.4): 6.11; (7)ACD/KOC (pH 5.5): 127.16; (8)ACD/KOC (pH 7.4): 127.16; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 61.83 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 49.039 cm3; (15)Molar Volume: 150.567 cm3; (16)Polarizability: 19.44×10-24cm3; (17)Surface Tension: 49.99 dyne/cm; (18)Density: 1.383 g/cm3; (19)Flash Point: 174.104 °C; (20)Enthalpy of Vaporization: 63.065 kJ/mol; (21)Boiling Point: 382.267 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC(=O)c2cc(OC)c(OC)cc12
(2)Std. InChI: InChI=1S/C10H8O5/c1-13-7-3-5-6(4-8(7)14-2)10(12)15-9(5)11/h3-4H,1-2H3
(3)Std. InChIKey: IMSDRBDUANUSRL-UHFFFAOYSA-N