2,4,6-Trimethoxyphenylacetic acid - CAS 104397-80-0
Catalog: |
BB001390 |
Product Name: |
2,4,6-Trimethoxyphenylacetic acid |
CAS: |
104397-80-0 |
Synonyms: |
2-(2,4,6-trimethoxyphenyl)acetic acid |
IUPAC Name: | 2-(2,4,6-trimethoxyphenyl)acetic acid |
Description: | 2,4,6-Trimethoxyphenylacetic acid (CAS# 104397-80-0) is a useful research chemical compound. |
Molecular Weight: | 226.23 |
Molecular Formula: | C11H14O5 |
Canonical SMILES: | COC1=CC(=C(C(=C1)OC)CC(=O)O)OC |
InChI: | InChI=1S/C11H14O5/c1-14-7-4-9(15-2)8(6-11(12)13)10(5-7)16-3/h4-5H,6H2,1-3H3,(H,12,13) |
InChI Key: | XVJDJIVBWDQELV-UHFFFAOYSA-N |
Boiling Point: | 376.3 ℃ at 760 mmHg |
Melting Point: | 182-185 ℃ |
Purity: | 95 % |
Density: | 1.197 g/cm3 |
MDL: | MFCD00016821 |
LogP: | 1.33950 |
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 |
EP-3157938-A1 | Hetero functional binding systems | 20140617 |
US-2017115285-A1 | Hetero functional binding systems | 20140617 |
WO-2015192183-A1 | Hetero functional binding systems | 20140617 |
US-10768176-B2 | Hetero functional binding systems | 20140617 |
WO-2009077173-A2 | Dna-encoded chemical libraries | 20071219 |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.08412354 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.08412354 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 65 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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