4-(2-Hydroxyethoxy)-3,5-dimethylbenzaldehyde - CAS 1039948-89-4
Catalog: |
BB001296 |
Product Name: |
4-(2-Hydroxyethoxy)-3,5-dimethylbenzaldehyde |
CAS: |
1039948-89-4 |
Synonyms: |
4-(2-hydroxyethoxy)-3,5-dimethylbenzaldehyde; 4-(2-hydroxyethoxy)-3,5-dimethylbenzaldehyde |
IUPAC Name: | 4-(2-hydroxyethoxy)-3,5-dimethylbenzaldehyde |
Description: | 4-(2-Hydroxyethoxy)-3,5-dimethylbenzaldehyde (CAS# 1039948-89-4) is a useful research chemical. |
Molecular Weight: | 194.23 |
Molecular Formula: | C11H14O3 |
Canonical SMILES: | CC1=CC(=CC(=C1OCCO)C)C=O |
InChI: | InChI=1S/C11H14O3/c1-8-5-10(7-13)6-9(2)11(8)14-4-3-12/h5-7,12H,3-4H2,1-2H3 |
InChI Key: | PBIWVVONGPLSAJ-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 1.48700 |
Publication Number | Title | Priority Date |
CN-108997226-B | Synthesis process of cardiovascular drug Apabetalone | 20180723 |
CN-108218798-B | Preparation method of Apabetalone | 20171213 |
US-10456405-B2 | Nitric oxide-releasing prodrug molecule of substituted quinazolines | 20150907 |
WO-2017041701-A1 | Nitric oxide-releasing prodrug molecule | 20150907 |
US-2013281397-A1 | Treatment of diseases by epigenetic regulation | 20120419 |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.094294304 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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