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CAS No.: | 233276-38-5 |
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Name: | 2H-Pyran-4-carboxylicacid,tetrahydro-4-methyl-(9CI) |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C7H12O3 |
Molecular Weight: | 144.17 |
Synonyms: | 2H-Pyran-4-carboxylicacid,tetrahydro-4-methyl-(9CI); |
Density: | 1.125 g/cm3 |
Boiling Point: | 256.792 °C at 760 mmHg |
Flash Point: | 105.124 °C |
PSA: | 46.53000 |
LogP: | 0.88770 |
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The 2H-Pyran-4-carboxylicacid, tetrahydro-4-methyl-, with the CAS registry number of 233276-38-5, is also known as 2H-Pyran-4-carboxylicacid,tetrahydro-4-methyl-(9CI). It belongs to the product category of Carboxylicacid. This chemical's molecular formula is C7H12O3 and molecular weight is 144.169. What's more, its systematic name is 4-Methyltetrahydro-2H-pyran-4-carboxylic acid.
Physical properties about the 2H-Pyran-4-carboxylicacid, tetrahydro-4-methyl- are: (1)ACD/LogP: 0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4; (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: 1.464; (14)Molar Refractivity: 35.385 cm3; (15)Molar Volume: 128.169 cm3; (16)Surface Tension: 38.645 dyne/cm; (17)Density: 1.125 g/cm3; (18)Flash Point: 105.124 °C; (19)Enthalpy of Vaporization: 54.424 kJ/mol; (20)Boiling Point: 256.792 °C at 760 mmHg; (21)Vapour Pressure: 0.005 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C1(C)CCOCC1
(2) InChI: InChI=1/C7H12O3/c1-7(6(8)9)2-4-10-5-3-7/h2-5H2,1H3,(H,8,9)
(3) InChIKey: VZWFVINYTCLXGC-UHFFFAOYAN