| CAS Number | 146004-98-0 |
| Catalog Number | AG00AQXG(AGN-PC-0O382G) |
| Chemical Name | 16-(Benzyloxy)-16-oxohexadecanoic acid |
| IUPAC Name | 16-oxo-16-phenylmethoxyhexadecanoic acid |
| InChI | InChI=1S/C23H36O4/c24-22(25)18-14-9-7-5-3-1-2-4-6-8-10-15-19-23(26)27-20-21-16-12-11-13-17-21/h11-13,16-17H,1-10,14-15,18-20H2,(H,24,25) |
| InChI Key | RKIWVFNLOSNCET-UHFFFAOYSA-N |
| MDL Number | MFCD29917032 |
| Molecular Formula | C23H36O4 |
| Molecular Weight | 376.5295 |
| SMILES | O=C(OCc1ccccc1)CCCCCCCCCCCCCCC(=O)O |
| Synonyms | 16-(Benzyloxy)-16-oxohexadecanoic acid,
146004-98-0,
SCHEMBL2932079,
RKIWVFNLOSNCET-UHFFFAOYSA-N,
Benzyloxy)-16-oxohexadecanoic acid,
Hexadecanedioic acid 1-benzyl ester,
MFCD29917032,
AKOS027255945,
ZINC143785968,
16-oxo-16-phenylmethoxyhexadecanoic acid,
TZ000691,
1,16-hexadecanedioic Acid Mono Benzyl Ester,
CS-0039059,
1,14-tetradecane dicarboxylic acid monobenzyl ester,
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| Complexity | 375 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 376.261g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 376.537g/mol |
| Monoisotopic Mass | 376.261g/mol |
| Rotatable Bond Count | 18 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number