3-Methyl-5,6-dihydro-1,4-dioxine-2-carboxylic acid - CAS 135813-44-4
Catalog: |
BB008251 |
Product Name: |
3-Methyl-5,6-dihydro-1,4-dioxine-2-carboxylic acid |
CAS: |
135813-44-4 |
Synonyms: |
6-methyl-2,3-dihydro-1,4-dioxine-5-carboxylic acid |
IUPAC Name: | 6-methyl-2,3-dihydro-1,4-dioxine-5-carboxylic acid |
Description: | 3-Methyl-5,6-dihydro-1,4-dioxine-2-carboxylic acid (CAS# 135813-44-4) is a useful research chemical. |
Molecular Weight: | 144.13 |
Molecular Formula: | C6H8O4 |
Canonical SMILES: | CC1=C(OCCO1)C(=O)O |
InChI: | InChI=1S/C6H8O4/c1-4-5(6(7)8)10-3-2-9-4/h2-3H2,1H3,(H,7,8) |
InChI Key: | WZTMMYVTLOVLJI-UHFFFAOYSA-N |
Boiling Point: | 227 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.309 g/cm3 |
MDL: | MFCD08059728 |
LogP: | 0.34930 |
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 |
US-2016046616-A1 | Nrf2 small molecule inhibitors for cancer therapy | 20130315 |
WO-2014145642-A2 | Nrf2 small molecule inhibitors for cancer therapy | 20130315 |
WO-2014145642-A9 | Nrf2 small molecule inhibitors for cancer therapy | 20130315 |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
EP-2558577-B1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
Complexity: | 182 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.04225873 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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