| CAS Number | 111726-64-8 |
| Catalog Number | AG019UX4(AGN-PC-0P2FN9) |
| Chemical Name | 3-(Naphthalen-2-yl)-2-oxopropanoic acid |
| IUPAC Name | 3-naphthalen-2-yl-2-oxopropanoic acid |
| InChI | InChI=1S/C13H10O3/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,15,16) |
| InChI Key | GTZXBCWKXWCNNO-UHFFFAOYSA-N |
| MDL Number | MFCD00969473 |
| Molecular Formula | C13H10O3 |
| Molecular Weight | 214.2167 |
| SMILES | O=C(O)C(CC1=CC=C2C=CC=CC2=C1)=O |
| Synonyms | 3-(naphthalen-2-yl)-2-oxopropanoic acid,
111726-64-8,
3-(2-Naphthyl)pyruvic acid,
AC1MW1LS,
AC1Q71MT,
SCHEMBL3700625,
CTK7I3774,
ZINC5521335,
ARJ100840,
AKOS000143519,
3-naphthalen-2-yl-2-oxopropanoic acid,
MCULE-9220487829,
NE53776,
EN300-43112,
Z444310860,
CID3742076,
3-naphthalen-2-yl-2-oxo-propanoic Acid,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.22g/mol |
| Monoisotopic Mass | 214.063g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number