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51028-84-3

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Basic Information
CAS No.: 51028-84-3
Name: 3-Isopropyl-5-methoxyphenylacetic acid
Molecular Structure:
Molecular Structure of 51028-84-3 (3-Isopropyl-5-methoxyphenylacetic acid)
Formula: C12H16O3
Molecular Weight: 208.257
Synonyms: 3-Methoxy-5-isopropylphenylaceticacid;
Density: 1.09 g/cm3
Boiling Point: 333.5 °C at 760 mmHg
Flash Point: 124.7 °C
PSA: 46.53000
LogP: 2.44570
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  • Benzeneacetic acid,3-methoxy-5-(1-methylethyl)-

  • Casno:

    51028-84-3

    Benzeneacetic acid,3-methoxy-5-(1-methylethyl)-

    Min.Order: 1 Gram

    FOB Price:  USD $ 0.0-0.0

    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, s

  •  Shandong Mopai Biotechnology Co., LTD

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  • Benzeneacetic acid,3-methoxy-5-(1-methylethyl)-

  • Casno:

    51028-84-3

    Benzeneacetic acid,3-methoxy-5-(1-methylethyl)-

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    hight degree of purity Application:Fine chemical intermediates, used as the main raw material for he synthesis of various pesticides, medicines, surfactants, polymer monomers, Ond Ontifungal agents

    Antimex Chemical Limied, was founded in 2001, we are specializing in manufacturing & researching of Active pharmaceutical Ingredients,Veterinary pharm APIs,cosmetic ingredients,and

  •  Antimex Chemical Limied

    China (Mainland)  |  Contact Details

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    Tel:0086-21-50563169

    Address:Room1027,No.Jinyu Road,Pudong

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Specification

The Benzeneacetic acid,3-methoxy-5-(1-methylethyl)-, with the CAS registry number 51028-84-3, is also known as [3-Methoxy-5-(propan-2-yl)phenyl]acetic acid. This chemical's molecular formula is C12H16O3 and molecular weight is 208.2536. What's more, its IUPAC name is 2-(3-Methoxy-5-propan-2-ylphenyl)acetic acid. In addition, this chemical's classification code is Drug / Therapeutic Agent.

Physical properties about Benzeneacetic acid,3-methoxy-5-(1-methylethyl)- are: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): -0.35; (5)ACD/BCF (pH 5.5): 3.41; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.95; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 58.23 cm3; (15)Molar Volume: 190.9 cm3; (16)Polarizability: 23.08×10-24 cm3; (17)Surface Tension: 39 dyne/cm; (18)Density: 1.09 g/cm3; (19)Flash Point: 124.7 °C; (20)Enthalpy of Vaporization: 60.84 kJ/mol; (21)Boiling Point: 333.5 °C at 760 mmHg; (22)Vapour Pressure: 5.39E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)Cc1cc(OC)cc(c1)C(C)C
(2) InChI: InChI=1/C12H16O3/c1-8(2)10-4-9(6-12(13)14)5-11(7-10)15-3/h4-5,7-8H,6H2,1-3H3,(H,13,14)
(3) InChIKey: QNAQRLMGXWACIL-UHFFFAOYAM

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1601mg/kg (1601mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 709, 1977.