-
Name
6-BENZOFURANCARBOXYLIC ACID, 2,3-DIHYDRO-4-HYDROXY-2,2-DIMETHYL-
- EINECS
- CAS No. 169130-42-1
- Density 1.309 g/cm3
- Solubility
- Melting Point
- Formula C11H12O4
- Boiling Point 372.7 °C at 760 mmHg
- Molecular Weight 208.21
- Flash Point 148.4 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 6-BENZOFURANCARBOXYLIC ACID, 2,3-DIHYDRO-4-HYDROXY-2,2-DIMETHYL-;4-hydroxy-2,2-dimethyl-2,3-dihydrobenzofuran-6-carboxylic acid;2,3-Dihydro-4-hydroxy-2,2-dimethyl-6-benzofurancarboxylic acid
- PSA 66.76000
- LogP 1.80390
2,3-Dihydro-4-hydroxy-2,2-dimethyl-6-benzofurancarboxylic acid Specification
This chemical is called 2,3-Dihydro-4-hydroxy-2,2-dimethyl-6-benzofurancarboxylic acid, and its IUPAC name is 4-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-carboxylic acid. With the molecular formula of C11H12O4, its molecular weight is 208.21. The CAS registry number of this chemical is 169130-42-1.
Other characteristics of the 2,3-Dihydro-4-hydroxy-2,2-dimethyl-6-benzofurancarboxylic acid can be summarised as followings: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.29 ; (4)#H bond acceptors: 4; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 2; (7)Polar Surface Area: 66.76 Å2; (8)Index of Refraction: 1.588; (9)Molar Refractivity: 53.55 cm3; (10)Molar Volume: 158.9 cm3; (11)Polarizability: 21.23×10-24cm3; (12)Surface Tension: 57.8 dyne/cm; (13)Density: 1.309 g/cm3; (14)Flash Point: 148.4 °C; (15)Enthalpy of Vaporization: 65.4 kJ/mol; (16)Boiling Point: 372.7 °C at 760 mmHg; (17)Vapour Pressure: 3.24E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CC1(Cc2c(cc(cc2O1)C(=O)O)O)C
2.InChI: InChI=1/C11H12O4/c1-11(2)5-7-8(12)3-6(10(13)14)4-9(7)15-11/h3-4,12H,5H2,1-2H3,(H,13,14)
3.InChIKey: AVONXTUWZNEHTN-UHFFFAOYAK
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