2H-Pyran-5-carboxylicacid, 3,4-dihydro-6-methyl- supplier

Name
2-METHYL-5,6-DIHYDRO-4H-PYRAN-3-CARBOXYLIC ACID
EINECS 226-433-7
CAS No. 5399-21-3
Article Data3
CAS DataBase
Density 1.194 g/cm³
Solubility
Melting Point 119 °C
Formula C₇H₁₀O₃
Boiling Point 243.7 °C at 760 mmHg
Molecular Weight 142.155
Flash Point 100 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Methyl-4H-5,6-dihydropyran-3-carboxylic acid;3,4-Dihydro-6-methyl-2H-pyran-5-carboxylic acid;
PSA 46.53000
LogP 1.15540

2H-Pyran-5-carboxylicacid, 3,4-dihydro-6-methyl- Specification

The 2H-Pyran-5-carboxylicacid, 3,4-dihydro-6-methyl-, with the CAS registry number 5399-21-3, is also known as 2-Methyl-4H-5,6-dihydropyran-3-carboxylic acid and 3,4-Dihydro-6-methyl-2H-pyran-5-carboxylic acid. Its EINECS registry number is 226-433-7. This chemical's molecular formula is C₇H₁₀O₃ and molecular weight is 142.1525. What's more, both its IUPAC name and systematic name are the same which is called 6-Methyl-3,4-dihydro-2H-pyran-5-carboxylic acid.

Physical properties about 2H-Pyran-5-carboxylicacid, 3,4-dihydro-6-methyl- are: (1)ACD/LogP: 1.20; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.45; (4)ACD/LogD (pH 7.4): -1.34; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.96; (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: 35.53 Å²; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 35.07 cm³; (15)Molar Volume: 119 cm³; (16)Surface Tension: 42.2 dyne/cm; (17)Density: 1.194 g/cm³; (18)Flash Point: 100 °C; (19)Enthalpy of Vaporization: 52.94 kJ/mol; (20)Boiling Point: 243.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0104 mmHg at 25 °C; (22)Melting Point: 119 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)\C1=C(\OCCC1)C
(2) InChI: InChI=1/C7H10O3/c1-5-6(7(8)9)3-2-4-10-5/h2-4H2,1H3,(H,8,9)
(3) InChIKey: LPCRMEXGDMZEMF-UHFFFAOYAQ

Product Name

2-METHYL-5,6-DIHYDRO-4H-PYRAN-3-CARBOXYLIC ACID

2H-Pyran-5-carboxylicacid, 3,4-dihydro-6-methyl- Specification

Related Products

Hot Products