| CAS Number | 932-56-9 |
| Catalog Number | AG01B1EB(AGN-PC-0JSMN0) |
| Chemical Name | 2-Methylcycloheptanone |
| IUPAC Name | 2-methylcycloheptan-1-one |
| InChI | InChI=1S/C8H14O/c1-7-5-3-2-4-6-8(7)9/h7H,2-6H2,1H3 |
| InChI Key | FDMAFOTXGNYBFG-UHFFFAOYSA-N |
| MDL Number | MFCD16090999 |
| Molecular Formula | C8H14O |
| Molecular Weight | 126.1962 |
| SMILES | CC1C(=O)CCCCC1 |
| Synonyms | 2-Methylcycloheptanone,
2-methylcycloheptan-1-one,
Cycloheptanone, 2-methyl-,
932-56-9,
2-methyl-cycloheptanone,
FDMAFOTXGNYBFG-UHFFFAOYSA-N,
AC1LBWAY,
2-methyl-cycloheptan-1-one,
SCHEMBL107928,
CTK3G9697,
DTXSID60337586,
AKOS011021491,
CID543503,
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| Complexity | 107 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.199g/mol |
| Monoisotopic Mass | 126.104g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number