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CAS No.: | 68123-30-8 |
---|---|
Name: | 2,3-DIHYDRO-9-HYDROXY-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C11H8O4 |
Molecular Weight: | 204.182 |
Synonyms: | 9-Hydroxy-2,3-dihydro-7H-furo[3,2-g]chromen-7-one;2,3-Dihydroxanthotoxol;2,3-Dihydro-9-hydroxy-7H-furo(3,2-g)(1)benzopyran-7-one;2,3-Dihydro-9-hydroxyfuro[3,2-g]chromen-7-one; |
EINECS: | 268-548-5 |
Density: | 1.505 g/cm3 |
Melting Point: | 204-205℃ (ethanol ) |
Boiling Point: | 421.7 °C at 760 mmHg |
Flash Point: | 175 °C |
PSA: | 59.67000 |
LogP: | 1.43350 |
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The 7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-9-hydroxy- with CAS registry number of 68123-30-8 is also called 2,3-Dihydroxanthotoxol. Its EINECS registry number is 268-548-5. The IUPAC name is 9-hydroxy-2,3-dihydro-7H-furo[3,2-g]chromen-7-one. In addition, the molecular formula is C11H8O4 and the molecular weight is 204.18. It should be stored in a cool and dry place.
Physical properties about 7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-9-hydroxy- are: (1)ACD/LogP: 0.63 ; (2)ACD/LogD (pH 5.5): 0.62; (3)ACD/LogD (pH 7.4): 0.5; (4)ACD/BCF (pH 5.5): 1.75; (5)ACD/BCF (pH 7.4): 1.32; (6)ACD/KOC (pH 5.5): 51.95; (7)ACD/KOC (pH 7.4): 39.06; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 44.76 Å2; (12)Index of Refraction: 1.672; (13)Molar Refractivity: 50.81 cm3; (14)Molar Volume: 135.6 cm3; (15)Polarizability: 20.14 ×10-24cm3; (16)Surface Tension: 67 dyne/cm; (17)Density: 1.505 g/cm3; (18)Flash Point: 175 °C; (19)Enthalpy of Vaporization: 70.2 kJ/mol; (20)Boiling Point: 421.7 °C at 760 mmHg; (21)Vapour Pressure: 1.04E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C/3Oc2c(O)c1OCCc1cc2\C=C\3
(2)InChI: InChI=1/C11H8O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-2,5,13H,3-4H2
(3)InChIKey: GWDMSCZQYHAETO-UHFFFAOYAN