Benzeneacetic acid,4-(methoxymethyl)- supplier

Name
(4-METHOXYMETHYLPHENYL)ACETIC ACID
EINECS
CAS No. 343880-24-0
Density 1.154 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₂O₃
Boiling Point 300.1 °C at 760 mmHg
Molecular Weight 180.2005
Flash Point 117 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms [4-(Methoxymethyl)phenyl]aceticacid;
PSA 46.53000
LogP 1.46010

Benzeneacetic acid,4-(methoxymethyl)- Specification

The Benzeneacetic acid, 4-(methoxymethyl)-, with the CAS registry number 343880-24-0, is also known as [4-(Methoxymethyl)phenyl]acetic acid. This chemical's molecular formula is C₁₀H₁₂O₃ and molecular weight is 180.2005. What's more, its systematic name is 2-(4-(Methoxymethyl)phenyl)acetic acid. In addition, it must be stored in airtight containers and placed in a dry, ventilated, cool place. Meanwhile, it should be kept away from oxidant.

Physical properties about Benzeneacetic acid, 4-(methoxymethyl)- are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.01; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.6; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 46.53 Å²; (12)Index of Refraction: 1.536; (13)Molar Refractivity: 48.66 cm³; (14)Molar Volume: 156 cm³; (15)Polarizability: 19.29×10^-24 cm³; (16)Surface Tension: 44 dyne/cm; (17)Density: 1.154 g/cm³; (18)Flash Point: 117 °C; (19)Enthalpy of Vaporization: 57.03 kJ/mol; (20)Boiling Point: 300.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000511 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COCc1ccc(cc1)CC(O)=O
(2) InChI: InChI=1/C10H12O3/c1-13-7-9-4-2-8(3-5-9)6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
(3) InChIKey: UBICBXUVKYZJTD-UHFFFAOYAL

Product Name

(4-METHOXYMETHYLPHENYL)ACETIC ACID

Benzeneacetic acid,4-(methoxymethyl)- Specification

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