2H-Pyran-6-carboxylicacid, 3,4-dihydro- supplier

Name
5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID
EINECS
CAS No. 31518-14-6
Article Data12
CAS DataBase
Density 1.268 g/cm³
Solubility
Melting Point
Formula C₆H₈O₃
Boiling Point 271.4 °C at 760 mmHg
Molecular Weight 128.128
Flash Point 119.1 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 43
Molecular Structure
Hazard Symbols Xi
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;
PSA 46.53000
LogP 0.76530

2H-Pyran-6-carboxylicacid, 3,4-dihydro- Specification

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

Product Name

5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID

2H-Pyran-6-carboxylicacid, 3,4-dihydro- Specification

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