-
Name
HISPIDIN
- EINECS
- CAS No. 555-55-5
- Article Data4
- CAS DataBase
- Density 1.658 g/cm3
- Solubility
- Melting Point 312-315 °C
- Formula C13H10O5
- Boiling Point 554.246 °C at 760 mmHg
- Molecular Weight 246.219
- Flash Point 220.129 °C
- Transport Information
- Appearance White crystalline powder
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Hispidin (7CI);6-(3,4-Dihydroxystyryl)-4-hydroxy-2-pyrone;2H-Pyran-2-one,6-[(1E)-2-(3,4-dihydroxyphenyl) ethenyl]-4-hydroxy-;6-[(E)-2-(3,4-Dihydroxyphenyl)vinyl]-4-hydroxy-2H-pyran-2-one;6-[(E)-2-(3,4-Dihydroxyphenyl)ethenyl]-4-hydroxy-2H-pyran-2-one;
- PSA 90.90000
- LogP 1.92700
Hispidine Specification
The Hispidine, with the CAS registry number 555-55-5, is also known as 2H-Pyran-2-one,6-[(1E)-2-(3,4-dihydroxyphenyl) ethenyl]-4-hydroxy-. This chemical's molecular formula is C13H10O5 and molecular weight is 246.22. What's more, its systematic name is 6-[(E)-2-(3,4-Dihydroxyphenyl)vinyl]-4-hydroxy-2H-pyran-2-one.
Physical properties of Hispidine are: (1)ACD/LogP: 0.433; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.61; (4)ACD/LogD (pH 7.4): -2.37; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 3.74; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 86.99 Å2; (13)Index of Refraction: 1.854; (14)Molar Refractivity: 66.597 cm3; (15)Molar Volume: 148.532 cm3; (16)Polarizability: 26.401×10-24cm3; (17)Surface Tension: 111.75 dyne/cm; (18)Density: 1.658 g/cm3; (19)Flash Point: 220.129 °C; (20)Enthalpy of Vaporization: 87.891 kJ/mol; (21)Boiling Point: 554.246 °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\1\C=C(/OC(/O)=C/1)\C=C\c2ccc(O)c(O)c2
(2)Std. InChI: InChI=1S/C13H10O5/c14-9-6-10(18-13(17)7-9)3-1-8-2-4-11(15)12(16)5-8/h1-7,15-17H/b3-1+
(3)Std. InChIKey: QISBNGLMCHHHFG-HNQUOIGGSA-N
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