| CAS Number | 6137-11-7 |
| Catalog Number | AG00EC8B(AGN-PC-009I5M) |
| Chemical Name | 4-Methylheptan-3-one |
| IUPAC Name | 4-methylheptan-3-one |
| InChI | InChI=1S/C8H16O/c1-4-6-7(3)8(9)5-2/h7H,4-6H2,1-3H3 |
| InChI Key | MVLRILUUXLBENA-UHFFFAOYSA-N |
| MDL Number | MFCD00039949 |
| Molecular Formula | C8H16O |
| Molecular Weight | 128.2120 |
| SMILES | CC(C(CC)=O)CCC |
| Synonyms | 4-methyl-3-heptanone,
4-METHYL-3-HEPTANONE,
4-methylheptan-3-one,
6137-11-7,
3-Heptanone, 4-methyl-,
AC1L2KIQ,
SCHEMBL268557,
CTK2F2216,
MVLRILUUXLBENA-UHFFFAOYSA-N,
LMFA12000031,
MFCD00039949,
AKOS012857284,
MCULE-9990200653,
NE18079,
TX-017060,
Z1333043419,
CID22512,
|
| Complexity | 86.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.215g/mol |
| Monoisotopic Mass | 128.12g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number