Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Benzofurancarboxylicacid,2,3-dihydro-2-methyl- |
EINECS | N/A |
CAS No. | 103204-80-4 | Density | 1.254 g/cm3 |
PSA | 46.53000 | LogP | 1.70820 |
Solubility | N/A | Melting Point |
149-150 °C |
Formula | C10H10O3 | Boiling Point | 333.1 ºC at 760 mmHg |
Molecular Weight | 178.188 | Flash Point | 136.2 ºC |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:; |
|
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid; |
Article Data | 5 |
The CAS registry number of 103204-80-4 is called 5-Benzofurancarboxylicacid,2,3-dihydro-2-methyl- with . The IUPAC name is 2-Methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid. In addition, the formula is C10H10O3 and the molecular weight is 178.18. It has irritant.
Physical properties about this chemical are: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): -0.22; (5)ACD/BCF (pH 5.5): 4.37; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 52.07; (8)ACD/KOC (pH 7.4): 1.09; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 47.05 cm3; (15)Molar Volume: 142 cm3; (16)Polarizability: 18.65 ×10-24cm3; (17)Surface Tension: 50.8 dyne/cm; (18)Density: 1.254 g/cm3; (19)Flash Point: 136.2 °C; (20)Enthalpy of Vaporization: 60.79 kJ/mol ; (21)Boiling Point: 333.1 °C at 760 mmHg; (22)Vapour Pressure: 5.54E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2cc1c(OC(C1)C)cc2
(2)InChI: InChI=1/C10H10O3/c1-6-4-8-5-7(10(11)12)2-3-9(8)13-6/h2-3,5-6H,4H2,1H3,(H,11,12)
(3)InChIKey: NXNQXQFRCVUXIN-UHFFFAOYAI