| CAS Number | 3151-48-2 |
| Catalog Number | AG01B3ZW(AGN-PC-02SMVS) |
| Chemical Name | (Octylcarbamoyl)formic acid |
| IUPAC Name | 2-(octylamino)-2-oxoacetic acid |
| InChI | InChI=1S/C10H19NO3/c1-2-3-4-5-6-7-8-11-9(12)10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14) |
| InChI Key | VYHZNGLVVFUBAX-UHFFFAOYSA-N |
| MDL Number | MFCD24230920 |
| Molecular Formula | C10H19NO3 |
| Molecular Weight | 201.2628 |
| SMILES | CCCCCCCCNC(C(O)=O)=O |
| Synonyms | (octylcarbamoyl)formic acid,
3151-48-2,
N-Octyloxamidic acid,
N-(n-Octyl)oxamic acid,
N-(n-octyl) oxamic acid,
SCHEMBL10488375,
VYHZNGLVVFUBAX-UHFFFAOYSA-N,
ZINC60238024,
AKOS033546946,
Z1692937470,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.266g/mol |
| Monoisotopic Mass | 201.136g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number