1,2-Cycloheptanedione - CAS 3008-39-7
Catalog: |
BB069031 |
Product Name: |
1,2-Cycloheptanedione |
CAS: |
3008-39-7 |
Synonyms: |
1,2-Cycloheptanedione; cycloheptane-1,2-dione; cycloheptadione |
IUPAC Name: | cycloheptane-1,2-dione |
Description: | 1,2-Cycloheptanedione is a reagent in the synthesis of 3,3'-Polymethylene-2,2'-bibenzo[b]-1,10-phenanthrolines. |
Molecular Weight: | 126.15 |
Molecular Formula: | C7H10O2 |
Canonical SMILES: | C1CCC(=O)C(=O)CC1 |
InChI: | InChI=1S/C7H10O2/c8-6-4-2-1-3-5-7(6)9/h1-5H2 |
InChI Key: | SLOCIJOTBVAMAJ-UHFFFAOYSA-N |
Solubility: | Chloroform (Slightly), Dichloromethane (Slightly), Ethyl Acetate (Slightly), Met |
Appearance: | Yellow Oil |
Storage: | Hygroscopic, Refrigerator, under inert atmosphere |
References: | Rahman, A. F. M., et al. Heterocycles, 75, 871-877 (2008). |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.068079557 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 34.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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