| CAS Number | 91555-65-6 |
| Catalog Number | AG01FFMX(AGN-PC-3H4A76) |
| Chemical Name | 3-(2-(benzyloxy)ethoxy)propanoic acid |
| IUPAC Name | 3-(2-phenylmethoxyethoxy)propanoic acid |
| InChI | InChI=1S/C12H16O4/c13-12(14)6-7-15-8-9-16-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,13,14) |
| InChI Key | SUIUDJXITUDGOR-UHFFFAOYSA-N |
| MDL Number | MFCD28096691 |
| Molecular Formula | C12H16O4 |
| Molecular Weight | 224.2530 |
| SMILES | C(C1=CC=CC=C1)OCCOCCC(=O)O |
| Synonyms | 91555-65-6,
3-[2-(BENZYLOXY)ETHOXY]PROPANOIC ACID,
3-(2-(Benzyloxy)ethoxy)propanoic acid,
6-Benzyloxy-4-oxahexanoic acid,
ZINC306498081,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.256g/mol |
| Monoisotopic Mass | 224.105g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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