Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Methyl-2-benzofurancarboxylicacid |
EINECS | N/A |
CAS No. | 10242-09-8 | Density | 1.303 g/cm3 |
PSA | 50.44000 | LogP | 2.43940 |
Solubility | N/A | Melting Point |
238-240℃ |
Formula | C10H8O3 | Boiling Point | 332.1 °C at 760 mmHg |
Molecular Weight | 176.172 | Flash Point | 154.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Methylbenzo[b]furan-2-carboxylic acid;5-Methyl-1-benzofuran-2-carboxylic acid; |
Article Data | 15 |
The 5-Methyl-2-benzofurancarboxylicacid, with the CAS registry number 10242-09-8, is also known as 5-Methylbenzo[b]furan-2-carboxylic acid. This chemical's molecular formula is C10H8O3 and molecular weight is 176.17. What's more, its systematic name is 5-methyl-1-benzofuran-2-carboxylic acid.
Physical properties of 5-Methyl-2-benzofurancarboxylicacid are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.58; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.51; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 39.44 Å2; (12)Index of Refraction: 1.631; (13)Molar Refractivity: 48.15 cm3; (14)Molar Volume: 135.1 cm3; (15)Polarizability: 19.08×10-24cm3; (16)Surface Tension: 53.1 dyne/cm; (17)Density: 1.303 g/cm3; (18)Flash Point: 154.7 °C; (19)Enthalpy of Vaporization: 60.68 kJ/mol; (20)Boiling Point: 332.1 °C at 760 mmHg; (21)Vapour Pressure: 5.92E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2oc1ccc(cc1c2)C
(2)InChI: InChI=1S/C10H8O3/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12/h2-5H,1H3,(H,11,12)
(3)InChIKey: RNTYTQILDXWFLQ-UHFFFAOYSA-N