4-(p-Tolyl)-3-buten-2-one - CAS 3160-38-1
Catalog: |
BB020996 |
Product Name: |
4-(p-Tolyl)-3-buten-2-one |
CAS: |
3160-38-1 |
Synonyms: |
(E)-4-(4-methylphenyl)but-3-en-2-one |
IUPAC Name: | (E)-4-(4-methylphenyl)but-3-en-2-one |
Description: | 4-(p-Tolyl)-3-buten-2-one (CAS# 3160-38-1 ) is a useful research chemical. |
Molecular Weight: | 160.21 |
Molecular Formula: | C11H12O |
Canonical SMILES: | CC1=CC=C(C=C1)C=CC(=O)C |
InChI: | InChI=1S/C11H12O/c1-9-3-6-11(7-4-9)8-5-10(2)12/h3-8H,1-2H3/b8-5+ |
InChI Key: | USXMUOFSQBSHGN-VMPITWQZSA-N |
MDL: | MFCD00026243 |
LogP: | 2.59720 |
Publication Number | Title | Priority Date |
CN-112430473-A | Method for synthesizing biomass high-density aviation fuel by using damascenone as raw material | 20201113 |
CN-112430473-B | Method for synthesizing biomass high-density aviation fuel by using damascenone as raw material | 20201113 |
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CN-112321580-A | Oxazole linked triazole medicine molecule for sterilization and disinfection and preparation method and application thereof | 20200513 |
CN-112321580-B | Oxazole linked triazole medicine molecule for sterilization and disinfection and preparation method and application thereof | 20200513 |
PMID | Publication Date | Title | Journal |
12909765 | 20030801 | 4,5-Dihydro-3-methyl-5-(4-methylphenyl)-1H-pyrazole-1-carboxamide | Acta crystallographica. Section C, Crystal structure communications |
12161116 | 20020902 | Quantum chemical- and 3-D-QSAR (CoMFA) studies of benzalacetones and 1,1,1-trifluoro-4-phenyl-3-buten-2-ones | Bioorganic & medicinal chemistry letters |
12094065 | 20020701 | 4,5-Dihydro-3-methyl-5-(4-methylphenyl)-1H-pyrazole-1-carboxamidinium acetate acetone hemisolvate | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 173 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 160.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.088815002 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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