(2,4-Dimethoxyphenyl)acetic acid - CAS 6496-89-5
Catalog: |
BB032604 |
Product Name: |
(2,4-Dimethoxyphenyl)acetic acid |
CAS: |
6496-89-5 |
Synonyms: |
2-(2,4-dimethoxyphenyl)acetic acid |
IUPAC Name: | 2-(2,4-dimethoxyphenyl)acetic acid |
Description: | A metabolite of dopamine analogs. Benzylamines and phenethylamines were converted to their analogous acids in the metabolism of dopamine analogs. |
Molecular Weight: | 196.20 |
Molecular Formula: | C10H12O4 |
Canonical SMILES: | COC1=CC(=C(C=C1)CC(=O)O)OC |
InChI: | InChI=1S/C10H12O4/c1-13-8-4-3-7(5-10(11)12)9(6-8)14-2/h3-4,6H,5H2,1-2H3,(H,11,12) |
InChI Key: | ZFXFMGARFHRTTO-UHFFFAOYSA-N |
Boiling Point: | 339.7 °C at 760 mmHg |
Density: | 1.189 g/cm3 |
MDL: | MFCD00183328 |
LogP: | 1.33090 |
GHS Hazard Statement: | H315 (15.56%): 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-112682031-A | Oil field interwell tracer, tracing method and fracturing fluid | 20191018 |
CN-108727370-A | The tetrahydro-beta-carboline micromolecular organic compound and its derivative and medical usage of a kind of hydroxyl substitution | 20180525 |
US-2018030331-A1 | Alkoxyphenyl Carboxylic Acid Tracers | 20150206 |
WO-2016124778-A1 | Alkoxyphenyl carboxylic acid tracers | 20150206 |
US-10954428-B2 | Alkoxyphenyl carboxylic acid tracers | 20150206 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.07355886 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS