Phenylsulfonylacetone - CAS 5000-44-2
Catalog: |
BB026884 |
Product Name: |
Phenylsulfonylacetone |
CAS: |
5000-44-2 |
Synonyms: |
1-(benzenesulfonyl)propan-2-one |
IUPAC Name: | 1-(benzenesulfonyl)propan-2-one |
Description: | Phenylsulfonylacetone (CAS# 5000-44-2) is a useful research chemical. |
Molecular Weight: | 198.24 |
Molecular Formula: | C9H10O3S |
Canonical SMILES: | CC(=O)CS(=O)(=O)C1=CC=CC=C1 |
InChI: | InChI=1S/C9H10O3S/c1-8(10)7-13(11,12)9-5-3-2-4-6-9/h2-6H,7H2,1H3 |
InChI Key: | YBLGSNMIIPIRFC-UHFFFAOYSA-N |
Boiling Point: | 371.7 ℃ at 760 mmHg |
Density: | 1.228 g/cm3 |
Appearance: | White to off-white powder or crystals |
MDL: | MFCD00047794 |
LogP: | 2.13010 |
Publication Number | Title | Priority Date |
CN-108997142-A | Remove the method that ketone is remained in ketone method production fatty amine | 20180820 |
CN-107188835-A | A kind of synthetic method of aryl sulfone compound | 20170614 |
CN-107188835-B | A kind of synthetic method of aryl sulfone compound | 20170614 |
CN-110709382-A | Developer precursors for laser-markable compositions | 20170612 |
EP-3415498-A1 | A developing agent precursor for laser markable compositions | 20170612 |
Complexity: | 268 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.03506535 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.03506535 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 59.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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