4-methoxy-2,3,6-trimethyl-benzaldehyde - CAS 54344-92-2
Catalog: |
BB028609 |
Product Name: |
4-methoxy-2,3,6-trimethyl-benzaldehyde |
CAS: |
54344-92-2 |
Synonyms: |
4-methoxy-2,3,6-trimethylbenzaldehyde; 4-methoxy-2,3,6-trimethylbenzaldehyde |
IUPAC Name: | 4-methoxy-2,3,6-trimethylbenzaldehyde |
Description: | 4-methoxy-2,3,6-trimethyl-benzaldehyde (CAS# 54344-92-2) is a compound useful in organic synthesis. |
Molecular Weight: | 178.23 |
Molecular Formula: | C11H14O2 |
Canonical SMILES: | CC1=CC(=C(C(=C1C=O)C)C)OC |
InChI: | InChI=1S/C11H14O2/c1-7-5-11(13-4)9(3)8(2)10(7)6-12/h5-6H,1-4H3 |
InChI Key: | BTOFIDLWQJCUJG-UHFFFAOYSA-N |
Boiling Point: | 301.2 °C at 760 mmHg |
Density: | 1.024 g/cm3 |
MDL: | MFCD00456729 |
LogP: | 2.43290 |
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 |
WO-2021015177-A1 | Organic electroluminescent element and electronic device | 20190724 |
US-2017275229-A1 | Process for preparation of acitrecin | 20140917 |
US-9919993-B2 | Process for preparation of acitrecin | 20140917 |
WO-2016042573-A1 | Process for preparation of acitretin | 20140917 |
EP-1648886-B1 | Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments | 20030730 |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.099379685 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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