3-Acetylbenzaldehyde - CAS 41908-11-6
Catalog: |
BB024992 |
Product Name: |
3-Acetylbenzaldehyde |
CAS: |
41908-11-6 |
Synonyms: |
3-acetylbenzaldehyde |
IUPAC Name: | 3-acetylbenzaldehyde |
Description: | 3-Acetylbenzaldehyde (CAS# 41908-11-6 ) is a useful research chemical. |
Molecular Weight: | 148.16 |
Molecular Formula: | C9H8O2 |
Canonical SMILES: | CC(=O)C1=CC=CC(=C1)C=O |
InChI: | InChI=1S/C9H8O2/c1-7(11)9-4-2-3-8(5-9)6-10/h2-6H,1H3 |
InChI Key: | QVNFUJVNBRCKNJ-UHFFFAOYSA-N |
Boiling Point: | 273.2 °C at 760 mmHg |
Density: | 1.117 g/cm3 |
MDL: | MFCD05865161 |
LogP: | 1.70170 |
Publication Number | Title | Priority Date |
WO-2021050721-A1 | Quinoline derivatives and uses in managing cancer | 20190910 |
CN-111517902-A | Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof | 20190201 |
WO-2020155595-A1 | Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photocatalytic oxidation method therefor | 20190201 |
JP-2020125464-A | Composition containing bisphenol compound | 20190201 |
US-2021289794-A1 | Compositions and related methods for agriculture | 20180725 |
PMID | Publication Date | Title | Journal |
22910290 | 20121101 | Solid-phase chemical synthesis and in vitro biological evaluation of novel 2β-piperazino-(20R)-5α-pregnane-3α,20-diol N-derivatives as anti-leukemic agents | Steroids |
17440922 | 20070401 | New phenyl-ethanediols from the culture broth of Boletus edulis | Journal of basic microbiology |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.052429494 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.052429494 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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