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CAS No.: | 51673-83-7 |
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Name: | TETRAHYDROPYRAN-2-CARBOXYLIC ACID |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C6H10O3 |
Molecular Weight: | 130.144 |
Synonyms: | Pyran-2-carboxylicacid, tetrahydro- (6CI,7CI);Tetrahydro-2H-pyran-2-carboxylic acid;Tetrahydropyran-2-carboxylic acid;oxane-2-carboxylic acid; |
Density: | 1.186 g/cm3 |
Boiling Point: | 264.5 °C at 760 mmHg |
Flash Point: | 114.039 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 46.53000 |
LogP: | 0.64010 |
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The 2H-Pyran-2-carboxylicacid, tetrahydro-, with the CAS registry number 51673-83-7, has the systematic name of tetrahydro-2H-pyran-2-carboxylic acid. It belongs to the following product categories: Acids and Derivatives; Heterocycles. And the molecular formula of the chemical is C6H10O3.
The characteristics of 2H-Pyran-2-carboxylicacid, tetrahydro- are as followings: (1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 30.771 cm3; (15)Molar Volume: 109.747 cm3; (16)Polarizability: 12.199×10-24cm3; (17)Surface Tension: 43.087 dyne/cm; (18)Density: 1.186 g/cm3; (19)Flash Point: 114.039 °C; (20)Enthalpy of Vaporization: 55.303 kJ/mol; (21)Boiling Point: 264.5 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C1OCCCC1
(2)InChI: InChI=1/C6H10O3/c7-6(8)5-3-1-2-4-9-5/h5H,1-4H2,(H,7,8)
(3)InChIKey: MQAYFGXOFCEZRW-UHFFFAOYAC