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Benzeneacetic acid,4-(methoxymethyl)-

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Name

Benzeneacetic acid,4-(methoxymethyl)-

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

[4-(Methoxymethyl)phenyl]aceticacid;

 

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

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