| CAS Number | 137407-31-9 |
| Catalog Number | AG00138L(AGN-PC-0782EL) |
| Chemical Name | 4-(6-Hydroxyhexyloxy)benzoic acid 4-methoxyphenyl ester |
| IUPAC Name | (4-methoxyphenyl) 4-(6-hydroxyhexoxy)benzoate |
| InChI | InChI=1S/C20H24O5/c1-23-17-10-12-19(13-11-17)25-20(22)16-6-8-18(9-7-16)24-15-5-3-2-4-14-21/h6-13,21H,2-5,14-15H2,1H3 |
| InChI Key | KTTALHXKXPIECT-UHFFFAOYSA-N |
| MDL Number | MFCD00191513 |
| Molecular Formula | C20H24O5 |
| Molecular Weight | 344.4016 |
| SMILES | OCCCCCCOC1=CC=C(C(=O)OC2=CC=C(C=C2)OC)C=C1 |
| Synonyms | 137407-31-9,
4-(6-Hydroxyhexyloxy)benzoic Acid 4-Methoxyphenyl Ester,
4-Methoxyphenyl 4-(6-Hydroxyhexyloxy)benzoate,
ACMC-1C2Q0,
4-methoxyphenyl 4-[(6-hydroxyhexyl)oxy]benzoate,
SCHEMBL12744487,
CTK0G9879,
DTXSID80659919,
ZINC2556858,
ANW-20275,
MFCD00191513,
AKOS015856565,
AN-31859,
TR-004987,
FT-0742483,
(4-methoxyphenyl) 4-(6-hydroxyhexoxy)benzoate,
407H319,
I14-58755,
H0766,
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| Complexity | 357 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 344.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.407g/mol |
| Monoisotopic Mass | 344.162g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 65A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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