2-Furancarboxylic acid,5-(3-methylphenyl)- supplier

Name
5-(3-METHYLPHENYL)-2-FUROIC ACID
EINECS
CAS No. 400744-57-2
Article Data5
CAS DataBase
Density 1.215 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₀O₃
Boiling Point 368.3 °C at 760 mmHg
Molecular Weight 202.21
Flash Point 176.6 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xi
Synonyms 5-(3-Methylphenyl)-2-furoic acid;5- m-Tolyl-furan-2-carboxylic acid;
PSA 50.44000
LogP 2.95320

2-Furancarboxylic acid,5-(3-methylphenyl)- Specification

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

Product Name

5-(3-METHYLPHENYL)-2-FUROIC ACID

2-Furancarboxylic acid,5-(3-methylphenyl)- Specification

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