| CAS Number | 57668-34-5 |
| Catalog Number | AG00EJ4B(AGN-PC-03I06R) |
| Chemical Name | 3-(3-(Benzyloxy)phenyl)propanoic acid |
| IUPAC Name | 3-(3-phenylmethoxyphenyl)propanoic acid |
| InChI | InChI=1S/C16H16O3/c17-16(18)10-9-13-7-4-8-15(11-13)19-12-14-5-2-1-3-6-14/h1-8,11H,9-10,12H2,(H,17,18) |
| InChI Key | HVXOYUOKPLHWNU-UHFFFAOYSA-N |
| MDL Number | MFCD09258905 |
| Molecular Formula | C16H16O3 |
| Molecular Weight | 256.2964 |
| SMILES | OC(CCC1=CC(OCC2=CC=CC=C2)=CC=C1)=O |
| Synonyms | 57668-34-5,
3-(3-(benzyloxy)phenyl)propanoic acid,
3-[3-(Benzyloxy)phenyl]propanoic acid,
Benzenepropanoic acid, 3-(phenylmethoxy)-,
MFCD09258905,
SCHEMBL2772855,
CTK1G7632,
DTXSID30620391,
HVXOYUOKPLHWNU-UHFFFAOYSA-N,
ZINC36294217,
AKOS015958488,
3-(3-Benzyloxy-phenyl)-propanoic acid,
3-[3-(Benzyloxy)phenyl]propionic acid,
MCULE-8762797651,
VU0549414-1,
3-{3-[(Phenylmethyl)oxy]phenyl}propanoic acid,
F9995-0928,
3-[3-(Benzyloxy)phenyl]propionic acid, 96%,
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| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.301g/mol |
| Monoisotopic Mass | 256.11g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number