CAS No.626-20-0,3-VINYLANISOLE 97 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	626-20-0
Name:	3-VINYLANISOLE 97
Article Data:	71

Formula:	C₉H₁₀O
Molecular Weight:	134.178
Synonyms:	1-Ethenyl-3-methoxybenzene;
Density:	0.962 g/cm³
Boiling Point:	202.5 °C at 760 mmHg
Flash Point:	72.5 °C
PSA:	9.23000
LogP:	2.33820

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Specification

The Benzene, 1-ethenyl-3-methoxy-, with the CAS registry number 626-20-0, is also known as 1-Methoxy-3-vinylbenzene. It belongs to the product categories of Acyclic; Alkenes; Organic Building Blocks. This chemical's molecular formula is C₉H₁₀O and molecular weight is 134.18. What's more, its systematic name is called 1-Ethenyl-3-methoxybenzene. It should be kept in a cool, dry and airtight place.

Physical properties about Benzene, 1-ethenyl-3-methoxy- are: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.68; (4)ACD/LogD (pH 7.4): 2.68; (5)ACD/BCF (pH 5.5): 63.54; (6)ACD/BCF (pH 7.4): 63.54; (7)ACD/KOC (pH 5.5): 679.57; (8)ACD/KOC (pH 7.4): 679.57; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 43.85 cm³; (15)Molar Volume: 139.3 cm³; (16)Surface Tension: 31 dyne/cm; (17)Density: 0.962 g/cm³; (18)Flash Point: 72.5 °C; (19)Enthalpy of Vaporization: 42.08 kJ/mol; (20)Boiling Point: 202.5 °C at 760 mmHg; (21)Vapour Pressure: 0.414 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1cc(\C=C)ccc1)C
(2) InChI: InChI=1/C9H10O/c1-3-8-5-4-6-9(7-8)10-2/h3-7H,1H2,2H3
(3) InChIKey: PECUPOXPPBBFLU-UHFFFAOYAU