The Benzeneacetic acid, a-methoxy-, (aS)-, with the CAS registry number 26164-26-1, is also known as (S)-(-)-alpha-Methoxyphenylacetic acid. It belongs to the product categories of Analytical Chemistry; Carboxylic Acids (Chiral); Chiral Building Blocks; e.e. / Absolute Configuration Determination (NMR); Enantiomer Excess & Absolute Configuration Determination; Synthetic Organic Chemistry; Chiral Reagents. Its EINECS registry number is 247-492-5. This chemical's molecular formula is C9H10O3 and molecular weight is 166.17. Its IUPAC name is called 2-methoxy-2-phenylacetic acid. This chemical is white solid. You should keep container tightly sealed which should be stored in a cool, dry place.
Physical properties of Benzeneacetic acid, a-methoxy-, (aS)-: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.09; (4)ACD/LogD (pH 7.4): -2.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.535; (13)Molar Refractivity: 43.74 cm3; (14)Molar Volume: 140.4 cm3; (15)Surface Tension: 44.9 dyne/cm; (16)Density: 1.182 g/cm3; (17)Flash Point: 116.1 °C; (18)Enthalpy of Vaporization: 55.21 kJ/mol; (19)Boiling Point: 283.8 °C at 760 mmHg; (20)Vapour Pressure: 0.00146 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(C1=CC=CC=C1)C(=O)O
(2)InChI: InChI=1S/C9H10O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,10,11)
(3)InChIKey: DIWVBIXQCNRCFE-UHFFFAOYSA-N
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