| CAS Number | 14289-45-3 |
| Catalog Number | AG01DW1I(AGN-PC-0PT5EJ) |
| Chemical Name | 2-(Naphthalen-2-yl)-2-oxoacetic acid |
| IUPAC Name | 2-naphthalen-2-yl-2-oxoacetic acid |
| InChI | InChI=1S/C12H8O3/c13-11(12(14)15)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,14,15) |
| InChI Key | UQQMNAKUWQWIMD-UHFFFAOYSA-N |
| MDL Number | MFCD07698693 |
| Molecular Formula | C12H8O3 |
| Molecular Weight | 200.1901 |
| SMILES | OC(C(C1=CC2=C(C=CC=C2)C=C1)=O)=O |
| Synonyms | 2-(naphthalen-2-yl)-2-oxoacetic acid,
14289-45-3,
CHEMBL61148,
2-Naphthaleneacetic acid, alpha-oxo-,
2-naphthylglyoxylic acid,
SCHEMBL1697489,
Naphthalen-2-yl-oxo-acetic acid,
UQQMNAKUWQWIMD-UHFFFAOYSA-N,
alpha-Oxo-2-naphthaleneacetic acid,
BDBM50102173,
ZINC29563531,
AKOS023875157,
2-naphthalen-2-yl-2-oxo-acetic Acid,
CID9834233,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.193g/mol |
| Monoisotopic Mass | 200.047g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number