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CAS No.: | 400744-57-2 |
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Name: | 5-(3-METHYLPHENYL)-2-FUROIC ACID |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C12H10O3 |
Molecular Weight: | 202.21 |
Synonyms: | 5-(3-Methylphenyl)-2-furoic acid;5- m-Tolyl-furan-2-carboxylic acid; |
Density: | 1.215 g/cm3 |
Boiling Point: | 368.3 °C at 760 mmHg |
Flash Point: | 176.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22 |
PSA: | 50.44000 |
LogP: | 2.95320 |
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The CAS register number of 2-Furancarboxylic acid,5-(3-methylphenyl)- is 400744-57-2. It also can be called as 5-(3-Methylphenyl)-2-furoic acid and the systematic name about this chemical is 5-(3-methylphenyl)furan-2-carboxylic acid. The molecular formula about this chemical is C12H10O3 and the molecular weight is 202.21.
Physical properties about 2-Furancarboxylic acid,5-(3-methylphenyl)- are: (1)ACD/LogP: 3.07; (2)ACD/LogD (pH 5.5): 0.79; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 5.83; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 39.44Å2; (11)Index of Refraction: 1.574; (12)Molar Refractivity: 54.89 cm3; (13)Molar Volume: 166.3 cm3; (14)Polarizability: 21.76x10-24cm3; (15)Surface Tension: 46.5 dyne/cm; (16)Flash Point: 176.6 °C; (17)Enthalpy of Vaporization: 64.88 kJ/mol; (18)Boiling Point: 368.3 °C at 760 mmHg; (19)Vapour Pressure: 4.48E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2oc(c1cc(ccc1)C)cc2
(2)InChI: InChI=1/C12H10O3/c1-8-3-2-4-9(7-8)10-5-6-11(15-10)12(13)14/h2-7H,1H3,(H,13,14)
(3)InChIKey: NQJYIMVBENPXIB-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C12H10O3/c1-8-3-2-4-9(7-8)10-5-6-11(15-10)12(13)14/h2-7H,1H3,(H,13,14)
(5)Std. InChIKey: NQJYIMVBENPXIB-UHFFFAOYSA-N