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2-(6-Methoxy-2-naphthyl)propionic acid

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Name

2-(6-Methoxy-2-naphthyl)propionic acid

EINECS 245-969-2
CAS No. 23981-80-8 Density 1.198 g/cm3
PSA 46.53000 LogP 3.03650
Solubility N/A Melting Point 157 °C
Formula C14H14O3 Boiling Point 403.9 °C at 760 mmHg
Molecular Weight 230.263 Flash Point 154.5 °C
Transport Information N/A Appearance White solid
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 23981-80-8 ((+/-)-2-(6-METHOXY-2-NAPHTHYL)PROPIONIC ACID) Hazard Symbols N/A
Synonyms

(RS)-Naproxen;2-(6-Methoxy-2-naphthyl)propanoic acid;2-(6-Methoxynaphthalen-2-yl)propanoic acid;2-(6-Methoxynaphthalen-2-yl)propionic acid;6-Methoxy-2-naphthyl-a-methylacetic acid;DL-2-(6-Methoxy-2-naphthyl)propionic acid;DL-Naproxen;Racemic naproxen;a-(6-Methoxy-2-naphthyl)propionicacid;26159-31-9;

Article Data 151

2-(6-Methoxy-2-naphthyl)propionic acid Specification

The 2-(6-Methoxy-2-naphthyl)propionic acid, with CAS registry number of 23981-80-8, belongs to the following product categories: Pharmaceutical Intermediates. Its systematic name and IUPAC name are the same, which is 2-(6-methoxynaphthalen-2-yl)propanoic acid.

Physical properties about this chemical are: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 0.47; (5)ACD/BCF (pH 5.5): 20.29; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 184.73; (8)ACD/KOC (pH 7.4): 3.01; (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: 1.608; (14)Molar Refractivity: 66.52 cm3; (15)Molar Volume: 192.2 cm3; (16)Polarizability: 26.37×10-24cm3; (17)Surface Tension: 47.4 dyne/cm; (18)Enthalpy of Vaporization: 69.1 kJ/mol; (19)Vapour Pressure: 3.01E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 2-(6-Methoxy-2-naphthyl)propionic acid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C
(2)InChI: InChI=1/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)
(3)InChIKey: CMWTZPSULFXXJA-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)
(5)Std. InChIKey: CMWTZPSULFXXJA-UHFFFAOYSA-N

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