| CAS Number | 123050-98-6 |
| Catalog Number | AG000K0M(AGN-PC-0PH1ME) |
| Chemical Name | (R)-O-Desmethyl Naproxen |
| IUPAC Name | (2R)-2-(6-hydroxynaphthalen-2-yl)propanoic acid |
| InChI | InChI=1S/C13H12O3/c1-8(13(15)16)9-2-3-11-7-12(14)5-4-10(11)6-9/h2-8,14H,1H3,(H,15,16)/t8-/m1/s1 |
| InChI Key | XWJUDDGELKXYNO-MRVPVSSYSA-N |
| MDL Number | MFCD18252360 |
| Molecular Formula | C13H12O3 |
| Molecular Weight | 216.2326 |
| SMILES | C[C@@H](C(=O)O)c1ccc2cc(O)ccc2c1 |
| Synonyms | (R)-O-Desmethyl Naproxen,
123050-98-6,
2-Naphthaleneaceticacid, 6-hydroxy-a-methyl-,(aR)-,
(R)-2-(6-Hydroxy-2-naphthyl)propionic Acid,
(R)-6-O-Desmethylnaproxen,
SCHEMBL134150,
CTK4B3399,
ZINC6037131,
AKOS030241384,
RT-014790,
FT-0666191,
J-004887,
(|AR)-6-Hydroxy-|A-methyl-2-naphthaleneacetic Acid,
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| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.236g/mol |
| Monoisotopic Mass | 216.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number