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

  • Name 2H-Pyran-5-carboxylicacid, 3,4-dihydro-6-methyl-
  • EINECS226-433-7
  • CAS No. 5399-21-3
  • Density1.194 g/cm3
  • PSA46.53000
  • LogP1.15540
  • SolubilityN/A
  • Melting Point119 °C
  • FormulaC7H10O3
  • Boiling Point243.7 °C at 760 mmHg
  • Molecular Weight142.155
  • Flash Point100 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 5399-21-3 (2-METHYL-5,6-DIHYDRO-4H-PYRAN-3-CARBOXYLIC ACID)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data3

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

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