| CAS Number | 16563-43-2 |
| Catalog Number | AG019LZK(AGN-PC-00NK7A) |
| Chemical Name | 3-(Naphthalen-2-yloxy)propanoic acid |
| IUPAC Name | 3-naphthalen-2-yloxypropanoic acid |
| InChI | InChI=1S/C13H12O3/c14-13(15)7-8-16-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2,(H,14,15) |
| InChI Key | DHSIEHJZSPBHQA-UHFFFAOYSA-N |
| MDL Number | MFCD00156917 |
| Molecular Formula | C13H12O3 |
| Molecular Weight | 216.2326 |
| SMILES | OC(CCOC1=CC2=C(C=CC=C2)C=C1)=O |
| Synonyms | 3-(naphthalen-2-yloxy)propanoic acid,
3-(2-naphthyloxy)propanoic acid,
16563-43-2,
AC1Q75Q0,
SCHEMBL2597631,
CTK7J4519,
DHSIEHJZSPBHQA-UHFFFAOYSA-N,
ZINC11800270,
3-(Naphthalen-2-yloxy)propionic acid,
AKOS000127002,
MCULE-1369882803,
NE23899,
Propanoic acid, 3-(2-naphthalenyloxy)-,
EN300-33497,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.236g/mol |
| Monoisotopic Mass | 216.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number