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| CAS No.: | 873397-34-3 |
|---|---|
| Name: | TETRAHYDRO-2H-PYRAN-3-CARBOXYLIC ACID |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C6H10O3 |
| Molecular Weight: | 130.144 |
| Synonyms: | TETRAHYDRO-PYRAN-3-CARBOXYLIC ACID;TETRAHYDRO-2H-PYRAN-3-CARBOXYLIC ACID;Tetrahydro-2H-pyran-3-car...;oxane-3-carboxylic acid |
| Density: | 1.185 g/cm3 |
| Boiling Point: | 264.5 °C at 760 mmHg |
| Flash Point: | 114 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 37/38-41 |
| Safety: | 26-39 |
| PSA: | 46.53000 |
| LogP: | 0.49760 |
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Specification
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