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Benzene,2-ethynyl-1,3-dimethoxy-

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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 Molecular Structure of 126829-31-0 (1-ETHYNYL-2,6-DIMETHOXY-BENZENE) Hazard Symbols N/A
Synonyms

2-Ethynyl-1,3-dimethoxybenzene;

Article Data 11

Benzene,2-ethynyl-1,3-dimethoxy- Specification

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

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