2,5-Dimethylphenylacetic Acid - CAS 13612-34-5
Catalog: |
BB008305 |
Product Name: |
2,5-Dimethylphenylacetic Acid |
CAS: |
13612-34-5 |
Synonyms: |
2-(2,5-dimethylphenyl)acetic acid; 2-(2,5-dimethylphenyl)acetic acid |
IUPAC Name: | 2-(2,5-dimethylphenyl)acetic acid |
Description: | 2,5-Dimethylphenylacetic Acid (CAS# 13612-34-5) is a useful research chemical. |
Molecular Weight: | 164.20 |
Molecular Formula: | C10H12O2 |
Canonical SMILES: | CC1=CC(=C(C=C1)C)CC(=O)O |
InChI: | InChI=1S/C10H12O2/c1-7-3-4-8(2)9(5-7)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12) |
InChI Key: | RUSCTNYOPQOXDJ-UHFFFAOYSA-N |
Boiling Point: | 293.4 °C at 760 mmHg |
Density: | 1.098 g/cm3 |
Appearance: | White to beige crystalline powder |
MDL: | MFCD00014369 |
LogP: | 1.93050 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111362776-A | Improved preparation method of 2, 5-disubstituted benzyl chloride | 20200425 |
CN-111072470-A | Method for preparing 2, 5-dimethyl phenylacetyl chloride | 20191218 |
CN-110305009-A | A method of 2,5- dimethyl phenyl acetic acid is synthesized by 2,5- dimethylbenzyl halogen | 20190717 |
CN-110305010-A | A kind of preparation method of 2,5- dimethyl phenyl acetic acid | 20190717 |
CN-110357774-A | A method of 2,5- dimethyl phenyl acetic acid is prepared by raw material of 2,5- dimethyl halobenzene | 20190717 |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.083729621 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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