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28730-32-7

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Basic Information
CAS No.: 28730-32-7
Name: 2,4,5-TRIMETHYL-3-FUROIC ACID
Article Data: 5
Molecular Structure:
Molecular Structure of 28730-32-7 (2,4,5-TRIMETHYL-3-FUROIC ACID)
Formula: C8H10O3
Molecular Weight: 154.166
Synonyms: 3-Furoicacid, 2,4,5-trimethyl- (6CI,8CI);2,4,5-Trimethyl-3-furancarboxylic acid;3-Furancarboxylic acid, 2,4,5-trimethyl-;
Density: 1.154 g/cm3
Boiling Point: 256.8 °C at 760 mmHg
Flash Point: 109.1 °C
PSA: 50.44000
LogP: 1.90300
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Specification

The 3-Furancarboxylicacid, 2,4,5-trimethyl-, with the CAS registry number 28730-32-7, has the systematic name of 2,4,5-trimethylfuran-3-carboxylic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H10O3.

The characteristics of 3-Furancarboxylicacid, 2,4,5-trimethyl- are as followings: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.5; (4)ACD/LogD (pH 7.4): -0.2; (5)ACD/BCF (pH 5.5): 4.91; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 60.01; (8)ACD/KOC (pH 7.4): 1.2; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 39.44 Å2; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 39.95 cm3; (15)Molar Volume: 133.5 cm3; (16)Polarizability: 15.84×10-24cm3; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.154 g/cm3; (19)Flash Point: 109.1 °C; (20)Enthalpy of Vaporization: 52.23 kJ/mol; (21)Boiling Point: 256.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00774 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1c(oc(c1C)C)C
(2)InChI: InChI=1/C8H10O3/c1-4-5(2)11-6(3)7(4)8(9)10/h1-3H3,(H,9,10)
(3)InChIKey: BAZBYDHOWMSZBD-UHFFFAOYAP