| CAS Number | 298186-73-9 |
| Catalog Number | AG019PK2 |
| Chemical Name | 2-[(4-methyl-3-nitrophenyl)formamido]acetic acid |
| IUPAC Name | 2-[(4-methyl-3-nitrobenzoyl)amino]acetic acid |
| InChI | InChI=1S/C10H10N2O5/c1-6-2-3-7(4-8(6)12(16)17)10(15)11-5-9(13)14/h2-4H,5H2,1H3,(H,11,15)(H,13,14) |
| InChI Key | FBJVVYJQHFWBDF-UHFFFAOYSA-N |
| MDL Number | MFCD00277924 |
| Molecular Formula | C10H10N2O5 |
| Molecular Weight | 238.1968 |
| SMILES | CC1=C([N+]([O-])=O)C=C(C(NCC(O)=O)=O)C=C1 |
| Synonyms | [(4-methyl-3-nitrobenzoyl)amino]acetic acid,
2-[(4-methyl-3-nitrophenyl)formamido]acetic acid,
298186-73-9,
AC1MBLY3,
AC1Q2ECZ,
Oprea1_474350,
SCHEMBL19376949,
CTK8F2263,
ZINC81037,
AKOS000198759,
CCG-247858,
MCULE-6553846093,
NE59946,
EN300-24012,
2-[(4-methyl-3-nitrobenzoyl)amino]acetic acid,
CID2727671,
2-[(4-methyl-3-nitro-benzoyl)amino]acetic Acid,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.199g/mol |
| Monoisotopic Mass | 238.059g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number