2-Acetyl-1,3-indanedione - CAS 1133-72-8
Catalog: |
BB003162 |
Product Name: |
2-Acetyl-1,3-indanedione |
CAS: |
1133-72-8 |
Synonyms: |
2-acetylindene-1,3-dione |
IUPAC Name: | 2-acetylindene-1,3-dione |
Description: | 2-Acetyl-1,3-indanedione (CAS# 1133-72-8 ) is a useful research chemical. |
Molecular Weight: | 188.18 |
Molecular Formula: | C11H8O3 |
Canonical SMILES: | CC(=O)C1C(=O)C2=CC=CC=C2C1=O |
InChI: | InChI=1S/C11H8O3/c1-6(12)9-10(13)7-4-2-3-5-8(7)11(9)14/h2-5,9H,1H3 |
InChI Key: | SGLKFWMIZOJHCL-UHFFFAOYSA-N |
Boiling Point: | 372.2 °C at 760 mmHg |
Melting Point: | 109-112 °C(lit.) |
Purity: | 95 % |
Density: | 1.318 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD00466278 |
LogP: | 1.27080 |
Publication Number | Title | Priority Date |
EP-3255988-A1 | Use of an agent to control resistant rodents | 20150210 |
WO-2016128368-A1 | Use of an agent to control resistant rodents | 20150210 |
AU-2009330581-A1 | Unsaturated acids for fading protection of colors derived from natural sources used in beverage products | 20081215 |
AU-2009330581-B2 | Unsaturated acids for fading protection of colors derived from natural sources used in beverage products | 20081215 |
CA-2746229-A1 | Unsaturated acids for fading protection of colors derived from natural sources used in beverage products | 20081215 |
PMID | Publication Date | Title | Journal |
17850053 | 20071004 | Theoretical and spectroscopic study of 2-substituted indan-1,3-diones: a coherent picture of the tautomeric equilibrium | The journal of physical chemistry. A |
18498502 | 20020401 | 2-Acetylindan-1,3-dione and its Cu(2+) and Zn(2+) complexes as promising sunscreen agents | International journal of cosmetic science |
11338778 | 20010101 | Behaviour of 2-substituted 1,3-indandiones towards aldimines | Bollettino chimico farmaceutico |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.047344113 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 51.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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