Products Categories
CAS No.: | 31518-14-6 |
---|---|
Name: | 5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C6H8O3 |
Molecular Weight: | 128.128 |
Synonyms: | 6-Carboxy-3,4-dihydro-2H-pyran;3,4-dihydro-2H-pyran-6-carboxylic acid;2H-Pyran-6-carboxylic acid, 3,4-dihydro-;5,6-Dihydro-4H-pyran-2-carboxylic Acid; |
Density: | 1.268 g/cm3 |
Boiling Point: | 271.4 °C at 760 mmHg |
Flash Point: | 119.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | 43 |
Safety: | 36/37 |
PSA: | 46.53000 |
LogP: | 0.76530 |
What can I do for you?
Get Best Price
The 2H-Pyran-6-carboxylicacid, 3,4-dihydro-, with the CAS registry number 31518-14-6, has the systematic name of 3,4-dihydro-2H-pyran-6-carboxylic acid. It belongs to the following product categories: Acids and Derivatives; Heterocycles; Pharmacetical. And the molecular formula of the chemical is C6H8O3.
The characteristics of 2H-Pyran-6-carboxylicacid, 3,4-dihydro- are as followings: (1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2.93; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 46.53 Å2; (11)Index of Refraction: 1.513; (12)Molar Refractivity: 30.37 cm3; (13)Molar Volume: 101 cm3; (14)Polarizability: 12.03×10-24cm3; (15)Surface Tension: 48.8 dyne/cm; (16)Density: 1.268 g/cm3; (17)Flash Point: 119.1 °C; (18)Enthalpy of Vaporization: 56.09 kJ/mol; (19)Boiling Point: 271.4 °C at 760 mmHg; (20)Vapour Pressure: 0.00181 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(=O)C\1=C\CCCO/1
(2)InChI: InChI=1/C6H8O3/c7-6(8)5-3-1-2-4-9-5/h3H,1-2,4H2,(H,7,8)
(3)InChIKey: OXUPSEKWDOSMIN-UHFFFAOYAN