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16496-38-1

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Basic Information
CAS No.: 16496-38-1
Name: dimethyl tetrahydro-5-oxofuran-2,3-dicarboxylate
Molecular Structure:
Molecular Structure of 16496-38-1 (dimethyl tetrahydro-5-oxofuran-2,3-dicarboxylate)
Formula: C8H10O6
Molecular Weight: 202.164
Synonyms: Isocitricacid, g-lactone, dimethyl ester (7CI);
EINECS: 240-563-1
Density: 1.334g/cm3
Melting Point: 106-107 °C(Solv: benzene (71-43-2))
Boiling Point: 348.7 °C at 760 mmHg
Flash Point: 157.4 °C
PSA: 78.90000
LogP: -0.73590
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  • Dimethyl tetrahydro-5-oxofuran-2,3-dicarboxylate

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    16496-38-1

    Dimethyl tetrahydro-5-oxofuran-2,3-dicarboxylate

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  • Pentaric acid,2,3-dideoxy-3-(methoxycarbonyl)-, 1,4-lactone, 5-methyl ester

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    16496-38-1

    Pentaric acid,2,3-dideoxy-3-(methoxycarbonyl)-, 1,4-lactone, 5-methyl ester

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  • dimethyl tetrahydro-5-oxofuran-2,3-dicarboxylate

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    16496-38-1

    dimethyl tetrahydro-5-oxofuran-2,3-dicarboxylate

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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

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Specification

The Pentaric acid,2,3-dideoxy-3-(methoxycarbonyl)-, 1,4-lactone, 5-methyl ester, with CAS registry number 16496-38-1, has the systematic name of dimethyl 5-oxotetrahydrofuran-2,3-dicarboxylate. Besides this, it is also called dimethyl tetrahydro-5-oxofuran-2,3-dicarboxylate. And the chemical formula of this chemical is C8H10O6. What's more, its EINECS is 240-563-1.

Physical properties of Pentaric acid,2,3-dideoxy-3-(methoxycarbonyl)-, 1,4-lactone, 5-methyl ester: (1)ACD/LogP: -0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.96; (4)ACD/LogD (pH 7.4): -0.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.14; (8)ACD/KOC (pH 7.4): 7.14; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 78.9 Å2; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 42.08 cm3; (15)Molar Volume: 151.4 cm3; (16)Polarizability: 16.68×10-24cm3; (17)Surface Tension: 45.4 dyne/cm; (18)Density: 1.334 g/cm3; (19)Flash Point: 157.4 °C; (20)Enthalpy of Vaporization: 59.31 kJ/mol; (21)Boiling Point: 348.7 °C at 760 mmHg; (22)Vapour Pressure: 4.93E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C1C(OC(=O)C1)C(=O)OC
(2)InChI: InChI=1/C8H10O6/c1-12-7(10)4-3-5(9)14-6(4)8(11)13-2/h4,6H,3H2,1-2H3
(3)InChIKey: ZTQAVXKHIVFJHN-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H10O6/c1-12-7(10)4-3-5(9)14-6(4)8(11)13-2/h4,6H,3H2,1-2H3
(5)Std. InChIKey: ZTQAVXKHIVFJHN-UHFFFAOYSA-N