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Tetrahydropyran-3-carboxylic acid

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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 Molecular Structure of 873397-34-3 (TETRAHYDRO-2H-PYRAN-3-CARBOXYLIC ACID) 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

Tetrahydropyran-3-carboxylic acid 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

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