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Basic Information
CAS No.: 487-06-9
Name: 5,7-Dimethoxycoumarin
Article Data: 34
Molecular Structure:
Molecular Structure of 487-06-9 (5,7-Dimethoxycoumarin)
Formula: C11H10O4
Molecular Weight: 206.198
Synonyms: Citropten(6CI);Coumarin, 5,7-dimethoxy- (7CI,8CI);5,7-Dimethoxy-2H-chromen-2-one;5,7-Dimethoxycoumarin;Citraptene;Citroptene;Limetin;Limettin;NSC 102793;NSC 217987;
EINECS: 207-646-4
Density: 1.248 g/cm3
Melting Point: 146-149 °C(lit.)
Boiling Point: 388.1 °C at 760 mmHg
Flash Point: 176.3 °C
Appearance: YELLOW TO TAN OR BROWN POWDER OR CRYSTALLINE POWDER
Hazard Symbols: Xi
Risk Codes: 43
Safety: 36/37
PSA: 48.67000
LogP: 1.81020
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    5,7-Dimethoxycoumarin

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    5,7-Dimethoxycoumarin

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    Preview CBNumber: CB2332266 Chemical Name: 5,7-Dimethoxycoumarin Molecular Formula: C

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  • 5,7-DiMethoxycouMarin

  • Casno:

    487-06-9

    5,7-DiMethoxycouMarin

    Min.Order: 1 Gram

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Specification

The 5,7-Dimethoxycoumarin with the cas number 487-06-9 is also called 2H-1-Benzopyran-2-one,5,7-dimethoxy-. The IUPAC name is 5,7-dimethoxychromen-2-one. Its EINECS registry number is 207-646-4. The molecular formula is C11H10O4. This chemical belongs to the following product categories: (1)Coumarins; (2)API intermediates. It should be stored at 2-8°C.

The properties of the chemical are: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.06; (4)ACD/LogD (pH 7.4): 2.06; (5)ACD/BCF (pH 5.5): 21.57; (6)ACD/BCF (pH 7.4): 21.57; (7)ACD/KOC (pH 5.5): 313.56; (8)ACD/KOC (pH 7.4): 313.56; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 53.12 cm3; (15)Molar Volume: 165.1 cm3; (16)Polarizability: 21.05×10-24cm3; (17)Surface Tension: 43 dyne/cm; (18)Enthalpy of Vaporization: 63.73 kJ/mol; (19)Vapour Pressure: 3.13×10-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/2Oc1cc(OC)cc(OC)c1\C=C\2
(2)InChI: InChI=1/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3
(3)InChIKey: NXJCRELRQHZBQA-UHFFFAOYAC