1-Methyl-2-indanone - CAS 35587-60-1
Catalog: |
BB059234 |
Product Name: |
1-Methyl-2-indanone |
CAS: |
35587-60-1 |
Synonyms: |
1,3-Dihydro-1-methyl-2H-inden-2-one; 1-Methyl-2,3-dihydro-1H-inden-2-one |
IUPAC Name: | 1-methyl-1,3-dihydroinden-2-one |
Description: | 1-Methyl-2-indanone can be used for mainstream marijuana and tobacco smoke. |
Molecular Weight: | 146.18 |
Molecular Formula: | C10H10O |
Canonical SMILES: | CC1C(=O)CC2=CC=CC=C12 |
InChI: | InChI=1S/C10H10O/c1-7-9-5-3-2-4-8(9)6-10(7)11/h2-5,7H,6H2,1H3 |
InChI Key: | XVFJKYPFHFHIOV-UHFFFAOYSA-N |
Melting Point: | >57°C (dec.) |
Solubility: | Chloroform (Sparingly, Sonicated), Dichloromethane (Slightly), Methanol (Slightl |
Appearance: | Pale Yellow to Yellow Solid |
Storage: | 4°C, Inert atmosphere |
References: | Graves, B.M., et.al. Sci Rep., 10, 7160, (2020). |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.073164938 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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