| CAS Number | 6638-98-8 |
| Catalog Number | AG01DUD9(AGN-PC-0JOFY0) |
| Chemical Name | Dodecanoic acid, 4-(phenylmethoxy)phenyl ester |
| IUPAC Name | (4-phenylmethoxyphenyl) dodecanoate |
| InChI | InChI=1S/C25H34O3/c1-2-3-4-5-6-7-8-9-13-16-25(26)28-24-19-17-23(18-20-24)27-21-22-14-11-10-12-15-22/h10-12,14-15,17-20H,2-9,13,16,21H2,1H3 |
| InChI Key | REQBVNBXTOTEPU-UHFFFAOYSA-N |
| MDL Number | MFCD30551780 |
| Molecular Formula | C25H34O3 |
| Molecular Weight | 382.5357 |
| NSC Number | 48485 |
| SMILES | CCCCCCCCCCCC(=O)Oc1ccc(cc1)OCc1ccccc1 |
| Synonyms | 4-(benzyloxy)phenyl dodecanoate,
6638-98-8,
NSC48485,
AC1L66Y5,
AC1Q626T,
CTK5C4549,
DTXSID20286985,
(4-phenylmethoxyphenyl) dodecanoate,
NSC-48485,
ZINC100302600,
Dodecanoic acid, 4-(phenylmethoxy)phenyl ester,
AR-1F6679,
CID241248,
764-43-2,
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| Complexity | 381 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 382.251g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 382.544g/mol |
| Monoisotopic Mass | 382.251g/mol |
| Rotatable Bond Count | 15 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 8.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number