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(S)-(+)-alpha-Methoxyphenylacetic acid

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(S)-(+)-alpha-Methoxyphenylacetic acid

EINECS 247-492-5
CAS No. 26164-26-1 Density 1.183 g/cm3
PSA 46.53000 LogP 1.45870
Solubility soluble in water Melting Point 64-66 °C(lit.)
Formula C9H10O3 Boiling Point 283.756 °C at 760 mmHg
Molecular Weight 166.177 Flash Point 116.129 °C
Transport Information N/A Appearance White Solid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 26164-26-1 ((S)-(+)-alpha-Methoxyphenylacetic acid) Hazard Symbols IrritantXi
Synonyms

Aceticacid, methoxyphenyl-, (S)- (8CI);Benzeneacetic acid, a-methoxy-, (S)-;(+)-2-Methoxy-2-phenylacetic acid;(+)-2-Methoxyphenylacetic acid;(+)-Methoxyphenylacetic acid;(+)-a-Methoxyphenylacetic acid;(2S)-O-Methylmandelic acid;(S)-(+)-2-Methoxy-2-phenylacetic acid;(S)-(+)-Methoxyphenylacetic acid;(S)-(+)-O-Methylmandelic acid;(S)-(+)-a-Methoxyphenylacetic acid;(S)-2-Methoxy-2-(phenyl)ethanoicacid;(S)-2-Methoxy-2-phenylacetic acid;(S)-2-Methoxyphenylacetic acid;(S)-Methoxyphenylacetic acid;(S)-O-Methylmandelic acid;(S)-a-Methoxy-a-phenylacetic acid;(S)-a-Methoxybenzeneacetic acid;(S)-a-Methoxybenzeneethanoic acid;(S)-a-Methoxyphenylacetic acid;L-a-Methoxyphenylacetic acid;

Article Data 44

(S)-(+)-alpha-Methoxyphenylacetic acid Specification

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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