| CAS Number | 6064-42-2 |
| Catalog Number | AG0037FW(AGN-PC-0JPCSB) |
| Chemical Name | 7-heptadecanone |
| IUPAC Name | heptadecan-7-one |
| InChI | InChI=1S/C17H34O/c1-3-5-7-9-10-11-12-14-16-17(18)15-13-8-6-4-2/h3-16H2,1-2H3 |
| InChI Key | NFRKSAMCQGIGRC-UHFFFAOYSA-N |
| MDL Number | MFCD00026546 |
| Molecular Formula | C17H34O |
| Molecular Weight | 254.4513 |
| NSC Number | 158528 |
| SMILES | CCCCCCC(CCCCCCCCCC)=O |
| Synonyms | 7-Heptadecanone,
heptadecan-7-one,
6064-42-2,
Heptadecane-7-one,
NSC158528,
AC1L6IEL,
AC1Q5H9C,
SCHEMBL3414726,
CTK5B1974,
DTXSID80303480,
NFRKSAMCQGIGRC-UHFFFAOYSA-N,
AKOS024333811,
ZINC100301504,
MCULE-4186355761,
NSC-158528,
AR-1H3511,
CID292627,
611-08-5,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.261g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.458g/mol |
| Monoisotopic Mass | 254.261g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7 |
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Certificate of Analysis
Lot Number