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Name |
Benzene,2-ethynyl-1,3-dimethoxy- |
EINECS | N/A |
CAS No. | 126829-31-0 | Density | 1.06 g/cm3 |
PSA | 18.46000 | LogP | 1.68510 |
Solubility | N/A | Melting Point |
106-108 °C |
Formula | C10H10O2 | Boiling Point | 265.1 °C at 760 mmHg |
Molecular Weight | 162.188 | Flash Point | 108 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Ethynyl-1,3-dimethoxybenzene; |
Article Data | 11 |
The Benzene, 2-ethynyl-1, 3-dimethoxy-, with the CAS registry number 126829-31-0, is also known as 2, 6-Dimethoxyphenylacetylene. This chemical's molecular formula is C10H10O2 and molecular weight is 162.1852. What's more, its systematic name is 2-Ethynyl-1, 3-dimethoxy-benzene.
Physical properties about Benzene, 2-ethynyl-1, 3-dimethoxy- are: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 2.11; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 18.46 Å2; (9)Index of Refraction: 1.522; (10)Molar Refractivity: 46.54 cm3; (11)Molar Volume: 152.4 cm3; (12)Polarizability: 18.45×10-24 cm3; (13)Surface Tension: 38.7 dyne/cm; (14)Density: 1.06 g/cm3; (15)Flash Point: 108 °C; (16)Enthalpy of Vaporization: 48.27 kJ/mol; (17)Boiling Point: 265.1 °C at 760 mmHg; (18)Vapour Pressure: 0.0153 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1cccc(OC)c1C#C
(2) InChI: InChI=1/C10H10O2/c1-4-8-9(11-2)6-5-7-10(8)12-3/h1,5-7H,2-3H3
(3) InChIKey: SDMBIXSWLMFUFH-UHFFFAOYAW