Tetrahydro-4-(2-methoxyphenyl)-2H-pyran-4-carboxylic acid supplier

Name
4-(2-methoxyphenyl)tetrahydro-2H-pyran-4-carboxylic acid
EINECS
CAS No. 1039931-72-0
Density 1.203 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₆O₄
Boiling Point 325.414 °C at 760 mmHg
Molecular Weight 236.26
Flash Point 141.353 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2-Methoxyphenyl) tetrahydropyran-4-carboxylate;4-(2-Methoxyphenyl)tetrahydro-2H-pyran-4-carboxylic acid;
PSA 55.76000
LogP 1.82800

Tetrahydro-4-(2-methoxyphenyl)-2H-pyran-4-carboxylic acid Specification

This chemical is called Tetrahydro-4-(2-methoxyphenyl)-2H-pyran-4-carboxylic acid, and its systematic name is (2-methoxyphenyl) tetrahydropyran-4-carboxylate. With the molecular formula of C₁₃H₁₆O₄, its molecular weight is 236.26. In addition, the CAS registry number of this chemical is 1039931-72-0.

Other characteristics of this chemical can be summarised as followings: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.845; (4)ACD/LogD (pH 7.4): 1.845; (5)ACD/BCF (pH 5.5): 14.869; (6)ACD/BCF (pH 7.4): 14.869; (7)ACD/KOC (pH 5.5): 240.293; (8)ACD/KOC (pH 7.4): 240.293; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 62.164 cm³; (15)Molar Volume: 204.636 cm³; (16)Polarizability: 24.644×10^-24cm³; (17)Surface Tension: 40.731 dyne/cm; (18)Density: 1.203 g/cm³; (19)Flash Point: 141.353 °C; (20)Enthalpy of Vaporization: 56.753 kJ/mol; (21)Boiling Point: 325.414 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccccc1OC(=O)C2CCOCC2
(2)InChI: InChI=1/C13H16O4/c1-15-11-4-2-3-5-12(11)17-13(14)10-6-8-16-9-7-10/h2-5,10H,6-9H2,1H3
(3)InChIKey: DINXFHAVKIROHM-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C13H16O4/c1-15-11-4-2-3-5-12(11)17-13(14)10-6-8-16-9-7-10/h2-5,10H,6-9H2,1H3
(5)Std. InChIKey: DINXFHAVKIROHM-UHFFFAOYSA-N

Product Name

4-(2-methoxyphenyl)tetrahydro-2H-pyran-4-carboxylic acid

Tetrahydro-4-(2-methoxyphenyl)-2H-pyran-4-carboxylic acid Specification

Related Products

Hot Products