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2H-1-Benzopyran-2-one,5,7-dimethoxy- (487-06-9)

Identification
Name:2H-1-Benzopyran-2-one,5,7-dimethoxy-
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;
CAS:487-06-9
EINECS: 207-646-4
Molecular Formula: C11H10O4
Molecular Weight: 206.19
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
Molecular Structure: (C11H10O4) Citropten(6CI);Coumarin, 5,7-dimethoxy- (7CI,8CI);5,7-Dimethoxy-2H-chromen-2-one;5,7-Dimethoxycoumar...
Properties
Density:1.248 g/cm3
Refractive index:1.556
Solubility:Slightly soluble
Appearance:YELLOW TO TAN OR BROWN POWDER OR CRYSTALLINE POWDER
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

Storage Temperature: 2-8°C
Usage:Citropten combined with tyrosin transports accelerators directly to pigment cells producing a long-lasting tan.
Safety Data