alpha-Pyrone-4,6-dicarboxylic acid supplier

Name
alpha-pyrone-4,6-dicarboxylic acid
EINECS
CAS No. 72698-24-9
Article Data4
CAS DataBase
Density 1.822 g/cm³
Solubility
Melting Point
Formula C₇H₄O₆
Boiling Point 355.51 °C at 760 mmHg
Molecular Weight 184.105
Flash Point 152.668 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Oxo-2H-pyran-4,6-dicarboxylic acid;2-Pyrone-4,6-dicarboxylic acid;
PSA 104.81000
LogP 0.03620

alpha-Pyrone-4,6-dicarboxylic acid Specification

The alpha-Pyrone-4,6-dicarboxylic acid, with the CAS registry number 72698-24-9, is also known as 2-Pyrone-4,6-dicarboxylic acid. This chemical's molecular formula is C₇H₄O₆ and molecular weight is 184.00. What's more, its systematic name is 2-Oxo-2H-pyran-4,6-dicarboxylic acid.

Physical properties of alpha-Pyrone-4,6-dicarboxylic acid are: (1)ACD/LogP: 0.388; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.35; (4)ACD/LogD (pH 7.4): -4.36; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 100.9 Å²; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 36.208 cm³; (15)Molar Volume: 101.065 cm³; (16)Polarizability: 14.354×10^-24cm³; (17)Surface Tension: 98.49 dyne/cm; (18)Density: 1.822 g/cm³; (19)Flash Point: 152.668 °C; (20)Enthalpy of Vaporization: 65.989 kJ/mol; (21)Boiling Point: 355.51 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C=1/C=C(\OC(=O)C=1)C(=O)O
(2)Std. InChI: InChI=1S/C7H4O6/c8-5-2-3(6(9)10)1-4(13-5)7(11)12/h1-2H,(H,9,10)(H,11,12)
(3)Std. InChIKey: VRMXCPVFSJVVCA-UHFFFAOYSA-N

Product Name

alpha-pyrone-4,6-dicarboxylic acid

alpha-Pyrone-4,6-dicarboxylic acid Specification

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