-
Name
2-(6-METHOXY-1-BENZOFURAN-3-YL)ACETIC ACID
- EINECS
- CAS No. 69716-05-8
- Article Data8
- CAS DataBase
- Density 1.306 g/cm3
- Solubility
- Melting Point 123 °C
- Formula C11H10O4
- Boiling Point 369.3 °C at 760 mmHg
- Molecular Weight 206.19
- Flash Point 177.1 °C
- Transport Information
- Appearance
- Safety 26-36/37/39
- Risk Codes 36/37/38-22
-
Molecular Structure
- Hazard Symbols Xi,Xn
- Synonyms 2-(5-Methoxybenzofuran-1-yl)ethanoic acid;(6-Methoxybenzofuran-3-yl)aceticacid;(6-methoxy-1-benzofuran-3-yl)acetic acid;(6-Methoxy-1-benzofuran-3-yl)acetic acid;2-(6-Methoxy-1-benzofuran-3-yl)acetic acid;3-benzofuranacetic acid, 6-methoxy-;
- PSA 59.67000
- LogP 2.06850
3-Benzofuranaceticacid, 6-methoxy- Specification
The 3-Benzofuranaceticacid, 6-methoxy-, with the CAS registry number 69716-05-8, has the systematic name of (6-methoxy-1-benzofuran-3-yl)acetic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C11H10O4.
The characteristics of 3-Benzofuranaceticacid, 6-methoxy- are as followings: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.4; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 9.1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 48.67 Å2; (12)Index of Refraction: 1.602; (13)Molar Refractivity: 54.18 cm3; (14)Molar Volume: 157.7 cm3; (15)Polarizability: 21.48×10-24cm3; (16)Surface Tension: 50.2 dyne/cm; (17)Density: 1.306 g/cm3; (18)Flash Point: 177.1 °C; (19)Enthalpy of Vaporization: 65 kJ/mol; (20)Boiling Point: 369.3 °C at 760 mmHg; (21)Vapour Pressure: 4.17E-06 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)Cc1c2ccc(OC)cc2oc1
(2)InChI: InChI=1/C11H10O4/c1-14-8-2-3-9-7(4-11(12)13)6-15-10(9)5-8/h2-3,5-6H,4H2,1H3,(H,12,13)
(3)InChIKey: QCXJFLREQGIACT-UHFFFAOYAZ
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View