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CAS No.: | 3966-32-3 |
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Name: | (R)-(-)-alpha-Methoxyphenylacetic acid |
Article Data: | 39 |
Molecular Structure: | |
Formula: | C9H10O3 |
Molecular Weight: | 166.177 |
Synonyms: | Aceticacid, methoxyphenyl-, (R)-(-)- (8CI);Benzeneacetic acid, a-methoxy-, (R)-;(-)-(aR)-a-Methoxybenzeneacetic acid;(-)-2-Methoxyphenylacetic acid;(-)-a-Methoxyphenylacetic acid;(2R)-O-Methylmandelic acid;(R)-(-)-2-Methoxy-2-phenylacetic acid;(R)-(-)-a-Methoxyphenylacetic acid;(R)-(-)-a-Methoxyphenylethanoic acid;(R)-2-Methoxy-2-phenylethanoic acid;(R)-2-Phenyl-2-methoxyacetic acid;(R)-O-Methylmandelic acid;(R)-a-Methoxybenzeneacetic acid;(R)-a-Methoxyphenylacetic acid;(aR)-a-Methoxybenzeneacetic acid;D-a-Methoxyphenylacetic acid; |
EINECS: | 223-580-9 |
Density: | 1.182 g/cm3 |
Melting Point: | 66-68 °C(lit.) |
Boiling Point: | 283.8 °C at 760 mmHg |
Flash Point: | 116.1 °C |
Appearance: | white fine crystalline powder or needles |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 46.53000 |
LogP: | 1.45870 |
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The Benzeneacetic acid, a-methoxy-, (aR)-, with the CAS registry number 3966-32-3, is also known as (R)-(-)-alpha-Methoxyphenylacetic acid. It belongs to the product categories of Analytical Chemistry; Carboxylic Acids (Chiral); Chiral Building Blocks; Enantiomer Excess & Absolute Configuration Determination; Synthetic Organic Chemistry. Its EINECS number is 223-580-9. This chemical's molecular formula is C9H10O3 and formula weight is 166.17. What's more, its IUPAC name is 2-methoxy-2-phenylacetic acid.
Physical properties of Benzeneacetic acid, a-methoxy-, (aR)- are: (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)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 43.74 cm3; (15)Molar Volume: 140.4 cm3; (16)Surface Tension: 44.9 dyne/cm; (17)Density: 1.182 g/cm3; (18)Flash Point: 116.1 °C; (19)Enthalpy of Vaporization: 55.21 kJ/mol; (20)Boiling Point: 283.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00146 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
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. When using it, you should 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