| CAS Number | 98488-59-6 |
| Catalog Number | AG019PKR |
| Chemical Name | 2-[(1-methyl-4-nitro-1H-pyrrol-2-yl)formamido]acetic acid |
| IUPAC Name | 2-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]acetic acid |
| InChI | InChI=1S/C8H9N3O5/c1-10-4-5(11(15)16)2-6(10)8(14)9-3-7(12)13/h2,4H,3H2,1H3,(H,9,14)(H,12,13) |
| InChI Key | QDACBBDMVZBXBY-UHFFFAOYSA-N |
| MDL Number | MFCD08246135 |
| Molecular Formula | C8H9N3O5 |
| Molecular Weight | 227.1742 |
| SMILES | CN1C(C(NCC(O)=O)=O)=CC([N+]([O-])=O)=C1 |
| Synonyms | 2-[(1-methyl-4-nitro-1H-pyrrol-2-yl)formamido]acetic acid,
98488-59-6,
EN300-24132,
2-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]acetic acid,
CID9207815,
Glycine, N-(1-methyl-4-nitropyrrol-2-ylcarbonyl),
2-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]acetic Acid,
{[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]amino}acetic acid,
AC1PNDE7,
AC1Q3YRH,
CTK7J5199,
ZINC8075024,
AKOS000136268,
MCULE-1411995236,
NE61635,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.176g/mol |
| Monoisotopic Mass | 227.054g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number