5-Hydroxychromen-2-one supplier

Name
5-Hydroxycoumarin
EINECS
CAS No. 6093-67-0
Article Data25
CAS DataBase
Density 1.403 g/cm³
Solubility
Melting Point
Formula C₉H₆O₃
Boiling Point 358.672 °C at 760 mmHg
Molecular Weight 162.145
Flash Point 168.723 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Coumarin,5-hydroxy- (7CI,8CI);5-Hydroxycoumarin;
PSA 50.44000
LogP 1.49860

5-Hydroxychromen-2-one Specification

The 2H-1-Benzopyran-2-one,5-hydroxy-, with the CAS registry number 6093-67-0, is also known as 5-Hydroxy-2H-chromen-2-one. This chemical's molecular formula is C₉H₆O₃ and molecular weight is 162.14. What's more, its IUPAC name is called 5-Hydroxychromen-2-one.

Physical properties about 2H-1-Benzopyran-2-one,5-hydroxy- are: (1)ACD/LogP: 0.753; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/LogD (pH 7.4): 0.47; (5)ACD/BCF (pH 5.5): 2.18; (6)ACD/BCF (pH 7.4): 1.15; (7)ACD/KOC (pH 5.5): 60.51; (8)ACD/KOC (pH 7.4): 31.94; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.53 Å²; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 41.648 cm³; (15)Molar Volume: 115.527 cm³; (16)Polarizability: 16.511×10^-24cm³; (17)Surface Tension: 59.497 dyne/cm; (18)Density: 1.403 g/cm³; (19)Flash Point: 168.723 °C; (20)Enthalpy of Vaporization: 62.799 kJ/mol; (21)Boiling Point: 358.672 °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=C/2Oc1cccc(O)c1\C=C\2
(2) InChI: InChI=1S/C9H6O3/c10-7-2-1-3-8-6(7)4-5-9(11)12-8/h1-5,10H
(3) InChIKey: CDHSCTCRBLLCBJ-UHFFFAOYSA-N

Product Name

5-Hydroxycoumarin

5-Hydroxychromen-2-one Specification

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