3-Benzylidene-2,4-pentanedione - CAS 4335-90-4
Catalog: |
BB025395 |
Product Name: |
3-Benzylidene-2,4-pentanedione |
CAS: |
4335-90-4 |
Synonyms: |
3-benzylidenepentane-2,4-dione |
IUPAC Name: | 3-benzylidenepentane-2,4-dione |
Description: | 3-Benzylidene-2,4-pentanedione (CAS# 4335-90-4 ) is a useful research chemical. |
Molecular Weight: | 188.22 |
Molecular Formula: | C12H12O2 |
Canonical SMILES: | CC(=O)C(=CC1=CC=CC=C1)C(=O)C |
InChI: | InChI=1S/C12H12O2/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11/h3-8H,1-2H3 |
InChI Key: | NYRGMNMVISROGJ-UHFFFAOYSA-N |
Boiling Point: | 185 °C (15 torr) |
Density: | 1.081 g/cm3 |
Appearance: | White crystalline |
MDL: | MFCD00014990 |
LogP: | 2.24800 |
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-2021156970-A1 | STRUCTURE CONTAINING Sn LAYER OR Sn ALLOY LAYER | 20200205 |
CN-112707804-A | Novel diketone compounds | 20191025 |
JP-2019199651-A | Structure including Sn layer or Sn alloy layer | 20190719 |
JP-6606812-B2 | Structure including Sn layer or Sn alloy layer | 20190719 |
WO-2020175277-A1 | Adhesive for endoscope, cured product thereof, and endoscope and manufacturing method thereof | 20190226 |
PMID | Publication Date | Title | Journal |
19910242 | 20100101 | Novel metal-based pharmacologically dynamic agents of transition metal(II) complexes: designing, synthesis, structural elucidation, DNA binding and photo-induced DNA cleavage activity | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.083729621 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 34.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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