| CAS Number | 144751-75-7 |
| Catalog Number | AG01DJCV(AGN-PC-0IBZ8A) |
| Chemical Name | 1-Phenyl-2,5,8,11-tetraoxatridecan-13-oic acid |
| IUPAC Name | 2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetic acid |
| InChI | InChI=1S/C15H22O6/c16-15(17)13-21-11-9-19-7-6-18-8-10-20-12-14-4-2-1-3-5-14/h1-5H,6-13H2,(H,16,17) |
| InChI Key | JCZIBYBWHNNMDZ-UHFFFAOYSA-N |
| MDL Number | MFCD31652691 |
| Molecular Formula | C15H22O6 |
| Molecular Weight | 298.3316 |
| SMILES | OC(=O)COCCOCCOCCOCc1ccccc1 |
| Synonyms | 1-Phenyl-2,5,8,11-tetraoxatridecan-13-oic acid,
144751-75-7,
SCHEMBL4963940,
13-Phenyl-3,6,9,12-tetraoxatridecanoic acid,
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| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.335g/mol |
| Monoisotopic Mass | 298.142g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 74.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
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