2-Methoxyphenylacetic acid

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2-Methoxyphenylacetic acid

Structural formula

Business number 0261
Molecular formula C9H10O3
Molecular weight 166.17
label

o-Methoxyphenylacetic acid,

2-Methoxyphenylacetic acid,

o-Methoxyphenylessigsαure,

Ortho methoxy phenyl acetic acid

Numbering system

CAS number:93-25-4

MDL number:MFCD00004321

EINECS number:202-231-4

RTECS number:None

BRN number:2047573

PubChem number:202-231-4

Physical property data

1. Characteristics: light yellow crystalline powder.


2. Density (g/mL,25/4℃): Undetermined


3. Relative vapor density (g/mL,AIR=1): Undetermined


4. Melting point (ºC):120 -122


5. Boiling point (ºC,Normal pressure): Undetermined


6. Boiling point (ºC,5.2kPa): Undetermined


7. Refractive Index: Undetermined


8. Flashpoint (ºC): Undetermined


9. Specific optical rotation (º): Undetermined


10. Autoignition point or ignition temperature (ºC): Undetermined


11. Vapor pressure (kPa,25ºC): Undetermined


12. Saturated vapor pressure (kPa,60ºC): Undetermined


13. Heat of combustion (KJ/mol): Undetermined


14. Critical temperature (ºC): Undetermined


15. Critical pressure (KPa): Undetermined


16. Oil and water (octanol/Log value of partition coefficient (water): undetermined


17. Explosion limit (%,V/V): Undetermined


18. Lower explosion limit (%,V/V): Undetermined


19. Solubility: Undetermined.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index:44.04


2. Molar volume (m3/mol):140.8


3. Isotonic specific volume ( 90.2K):362.3


4. Surface tension (dyne/cm):43.7


5. Polarizability(10-24cm3):17.46

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 46.5

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 156

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be stored in a sealed, cool, dry place.

Synthesis method

None

Purpose

Organic synthesis.

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  • by Published on 2024-05-30 17:46:01
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