| CAS Number | 7194-86-7 |
| Catalog Number | AG00FAD0(AGN-PC-0JLJSI) |
| Chemical Name | Nonatriacontane |
| IUPAC Name | nonatriacontane |
| InChI | InChI=1S/C39H80/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3 |
| InChI Key | SNXOSZZZNFRFNZ-UHFFFAOYSA-N |
| MDL Number | MFCD00039929 |
| Molecular Formula | C39H80 |
| Molecular Weight | 549.0525 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| UNII | ZOH3A3X6UH |
| Synonyms | Nonatriacontane,
7194-86-7,
n-Nonatriacontane,
UNII-ZOH3A3X6UH,
ZOH3A3X6UH,
AC1L3G22,
AC1Q28U1,
DTXSID4074724,
CTK2I0723,
Nonatriacontane, >=90.0% (GC),
ZINC86047309,
DB-007776,
FT-0728160,
TETRACONTANE,
AR-1K7940,
C39H80,
CID114842,
C39-H80,
60307-25-7,
ULI,
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| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 548.626g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 39 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 549.069g/mol |
| Monoisotopic Mass | 548.626g/mol |
| Rotatable Bond Count | 36 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 20.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number