Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

2H-1-Benzopyran-3,5,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro-

Related Products

Hot Products

Name

2H-1-Benzopyran-3,5,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro-

EINECS 236-471-6
CAS No. 13392-26-2 Density 1.593 g/cm3
PSA 110.38000 LogP 1.54610
Solubility N/A Melting Point 240 °C (decomp)
Formula C15H14O6 Boiling Point 630.4 °C at 760 mmHg
Molecular Weight 290.273 Flash Point 335 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 13392-26-2 ((+/-)-EPICATECHIN) Hazard Symbols N/A
Synonyms

3,3',4',5,7-Flavanpentol(7CI,8CI);

Article Data 16

2H-1-Benzopyran-3,5,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro- Specification

The 2H-1-Benzopyran-3,5,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro- is an organic compound with the formula C15H14O6. The IUPAC name of this chemical is 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-4,5,7-triol. With the CAS registry number 13392-26-2, it is also named as 3',4',5,7-Tetrahydroxyflavan-3-ol.

Physical properties about 2H-1-Benzopyran-3,5,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro- are: (1)ACD/LogP: 0.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.49; (4)ACD/LogD (pH 7.4): 0.48; (5)ACD/BCF (pH 5.5): 1.39; (6)ACD/BCF (pH 7.4): 1.36; (7)ACD/KOC (pH 5.5): 44.03; (8)ACD/KOC (pH 7.4): 42.96; (9)#H bond acceptors: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.38 Å2; (13)Index of Refraction: 1.741; (14)Molar Refractivity: 73.59 cm3; (15)Molar Volume: 182.1 cm3; (16)Polarizability: 29.17×10-24cm3; (17)Surface Tension: 88.1 dyne/cm; (18)Density: 1.593 g/cm3; (19)Flash Point: 335 °C; (20)Enthalpy of Vaporization: 98.01 kJ/mol; (21)Boiling Point: 630.4 °C at 760 mmHg; (22)Vapour Pressure: 9.29E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(cc1O)C3Oc2cc(O)cc(O)c2CC3O
(2)InChI: InChI=1/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2
(3)InChIKey: PFTAWBLQPZVEMU-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2
(5)Std. InChIKey: PFTAWBLQPZVEMU-UHFFFAOYSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 13392-26-2