| CAS Number | 124924-36-3 |
| Catalog Number | AG009CX7 |
| Chemical Name | (3-Methyl-4-nitro-benzoylamino)-acetic acid |
| IUPAC Name | 2-[(3-methyl-4-nitrobenzoyl)amino]acetic acid |
| InChI | InChI=1S/C10H10N2O5/c1-6-4-7(2-3-8(6)12(16)17)10(15)11-5-9(13)14/h2-4H,5H2,1H3,(H,11,15)(H,13,14) |
| InChI Key | MQWUJWRMCMDPTG-UHFFFAOYSA-N |
| MDL Number | MFCD03970403 |
| Molecular Formula | C10H10N2O5 |
| Molecular Weight | 238.1968 |
| SMILES | O=C(O)CNC(C1=CC=C([N+]([O-])=O)C(C)=C1)=O |
| Synonyms | (3-Methyl-4-nitro-benzoylamino)-acetic acid,
124924-36-3,
2-[(3-methyl-4-nitrophenyl)formamido]acetic acid,
2-(3-Methyl-4-nitrobenzamido)acetic acid,
2-[(3-methyl-4-nitrobenzoyl)amino]acetic acid,
AC1M6SZI,
AC1Q2EJH,
CTK7J5206,
ZINC3289345,
MFCD03970403,
AKOS000114591,
MCULE-7528842368,
NE17517,
EN300-00195,
SR-01000040688,
J-501223,
SR-01000040688-1,
Z56896312,
CID2404867,
2-[(3-methyl-4-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 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number