| CAS Number | 85541-42-0 |
| Catalog Number | AG008HK2(AGN-PC-0V15AS) |
| Chemical Name | Stearic Acid-13C |
| IUPAC Name | (113C)octadecanoic acid |
| InChI | InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/i18+1 |
| InChI Key | QIQXTHQIDYTFRH-CPZJZEHKSA-N |
| MDL Number | MFCD00002753 |
| Molecular Formula | C18H36O2 |
| Molecular Weight | 285.4699 |
| SMILES | CCCCCCCCCCCCCCCCC[13C](O)=O |
| Synonyms | Stearic acid-1-13C,
85541-42-0,
Octadecanoic acid-1-13C,
Stearophanic Acid-13C,
n-Octadecanoic Acid-13C,
(1-~13~C)Octadecanoic acid,
SCHEMBL1331390,
CTK8G3206,
DTXSID70583512,
1-Heptadecanecarboxylic Acid-13C,
AKOS030243052,
Stearic acid-1-13C, 99 atom % 13C,
FT-0674650,
C-33598,
Octadecanoic acid,
Stearic Acid-1 13C,
CS-T-61413,
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| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.275g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 1 |
| Molecular Weight | 285.476g/mol |
| Monoisotopic Mass | 285.275g/mol |
| Rotatable Bond Count | 16 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number