3-Methyl-1,2-cyclopentanedione - CAS 765-70-8
Catalog: |
BB035617 |
Product Name: |
3-Methyl-1,2-cyclopentanedione |
CAS: |
765-70-8 |
Synonyms: |
3-methylcyclopentane-1,2-dione |
IUPAC Name: | 3-methylcyclopentane-1,2-dione |
Description: | 3-Methyl-1,2-cyclopentanedione (CAS# 765-70-8) is a useful research chemical. |
Molecular Weight: | 112.13 |
Molecular Formula: | C6H8O2 |
Canonical SMILES: | CC1CCC(=O)C1=O |
InChI: | InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h4H,2-3H2,1H3 |
InChI Key: | OACYKCIZDVVNJL-UHFFFAOYSA-N |
Boiling Point: | 245.2 °C at 760 mmHg |
Melting Point: | 105-110 °C |
Density: | 1.225 g/cm3 |
Appearance: | Off-white to beige solid |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
LogP: | 0.55450 |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
22992784 | 20120919 | Chemical composition of hexane extract of Citrus aurantifolia and anti-Mycobacterium tuberculosis activity of some of its constituents | Molecules (Basel, Switzerland) |
22263649 | 20120301 | Scientific assessment of the use of sugars as cigarette tobacco ingredients: a review of published and other publicly available studies | Critical reviews in toxicology |
22221314 | 20120105 | Synthesis and characteristics of NH2-functionalized polymer films to align and immobilize DNA molecules | Nanoscale research letters |
21508498 | 20110617 | Contact planarization of ensemble nanowires | Nanotechnology |
22410181 | 20110610 | Diagnostic tools in Rhinology EAACI position paper | Clinical and translational allergy |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 112.052429494 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 112.052429494 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 34.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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