Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Tetrahydropyran-3-carboxylic acid |
EINECS | N/A |
CAS No. | 873397-34-3 | Density | 1.185 g/cm3 |
PSA | 46.53000 | LogP | 0.49760 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H10O3 | Boiling Point | 264.5 °C at 760 mmHg |
Molecular Weight | 130.144 | Flash Point | 114 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-39 | Risk Codes | 37/38-41 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
TETRAHYDRO-PYRAN-3-CARBOXYLIC ACID;TETRAHYDRO-2H-PYRAN-3-CARBOXYLIC ACID;Tetrahydro-2H-pyran-3-car...;oxane-3-carboxylic acid |
Article Data | 8 |
This chemical is called 2H-Pyran-3-carboxylic acid, tetrahydro-, and its systematic name is tetrahydro-2H-pyran-3-carboxylic acid. With the molecular formula of C6H10O3, its molecular weight is 130.14. The CAS registry number of this chemical is 873397-34-3.
Other characteristics of the 2H-Pyran-3-carboxylic acid, tetrahydro- can be summarised as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.45; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 46.53 Å2; (10)Index of Refraction: 1.472; (11)Molar Refractivity: 30.77 cm3; (12)Molar Volume: 109.7 cm3; (13)Polarizability: 12.19×10-24cm3; (14)Surface Tension: 43 dyne/cm; (15)Density: 1.185 g/cm3; (16)Flash Point: 114 °C; (17)Enthalpy of Vaporization: 55.3 kJ/mol; (18)Boiling Point: 264.5 °C at 760 mmHg; (19)Vapour Pressure: 0.00282 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: OC(=O)C1COCCC1
2.InChI: InChI=1/C6H10O3/c7-6(8)5-2-1-3-9-4-5/h5H,1-4H2,(H,7,8)
3.InChIKey: YEWPVCUHKJABMV-UHFFFAOYAX