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Basic Information
CAS No.: 672-67-3
Name: 2H-PYRAN-2-ONE-6-CARBOXYLIC ACID
Article Data: 10
Molecular Structure:
Molecular Structure of 672-67-3 (2H-PYRAN-2-ONE-6-CARBOXYLIC ACID)
Formula: C6H4O4
Molecular Weight: 140.095
Synonyms: 2-Pyranone-6-carboxylic acid;2,4-Hexadienedioicacid, 2-hydroxy-, d-lactone (7CI);2-Pyrone-6-carboxylic acid;NSC 35012;NSC 403109;
Density: 1.542 g/cm3
Boiling Point: 353.2 °C at 760 mmHg
Flash Point: 159.4 °C
PSA: 67.51000
LogP: 0.33800
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    Molecular Formula: C6H4O4 Formula Weight: 140.09

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Specification

The CAS register number of 2H-Pyran-6-carboxylicacid, 2-oxo- is 672-67-3. It also can be called as 2-Pyrone-6-carboxylic acid and the IUPAC name about this chemical is 6-oxopyran-2-carboxylic acid. The molecular formula about this chemical is C6H4O4 and the molecular weight is 140.09.

Physical properties about 2H-Pyran-6-carboxylicacid, 2-oxo- are: (1)ACD/LogP: -0.43; (2)ACD/LogD (pH 5.5): -3.53; (3)ACD/LogD (pH 7.4): -4.16; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 52.6 Å2; (12)Index of Refraction: 1.577; (13)Molar Refractivity: 30.1 cm3; (14)Molar Volume: 90.8 cm3; (15)Polarizability: 11.93x10-24cm3; (16)Surface Tension: 67 dyne/cm; (17)Density: 1.542 g/cm3; (18)Flash Point: 159.4 °C; (19)Enthalpy of Vaporization: 65.71 kJ/mol; (20)Boiling Point: 353.2 °C at 760 mmHg; (21)Vapour Pressure: 6.14E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C=1OC(=O)/C=C\C=1
(2)InChI: InChI=1/C6H4O4/c7-5-3-1-2-4(10-5)6(8)9/h1-3H,(H,8,9)
(3)InChIKey: AUZCNXBFVCKKHV-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C6H4O4/c7-5-3-1-2-4(10-5)6(8)9/h1-3H,(H,8,9)
(5)Std. InChIKey: AUZCNXBFVCKKHV-UHFFFAOYSA-N