| CAS Number | 554407-07-7 |
| Catalog Number | AG019GGT |
| Chemical Name | 2-[(4-Methoxy-3-nitrophenyl)formamido]acetic acid |
| IUPAC Name | 2-[(4-methoxy-3-nitrobenzoyl)amino]acetic acid |
| InChI | InChI=1S/C10H10N2O6/c1-18-8-3-2-6(4-7(8)12(16)17)10(15)11-5-9(13)14/h2-4H,5H2,1H3,(H,11,15)(H,13,14) |
| InChI Key | CEYJLPHGQAHEDS-UHFFFAOYSA-N |
| MDL Number | MFCD03970401 |
| Molecular Formula | C10H10N2O6 |
| Molecular Weight | 254.1962 |
| SMILES | COC1=C([N+]([O-])=O)C=C(C(NCC(O)=O)=O)C=C1 |
| Synonyms | 2-[(4-methoxy-3-nitrophenyl)formamido]acetic acid,
(4-Methoxy-3-nitro-benzoylamino)-acetic acid,
554407-07-7,
AC1M6SYO,
AC1Q4C2H,
CTK7A5533,
ZINC3289335,
N-(4-methoxy-3-nitrobenzoyl)glycine,
STL261788,
AKOS000114575,
MCULE-1288091223,
NE26977,
EN300-00153,
N-[(4-methoxy-3-nitrophenyl)carbonyl]glycine,
2-[(4-methoxy-3-nitrobenzoyl)amino]acetic acid,
SR-01000040687,
SR-01000040687-1,
Z56896299,
CID2404856,
2-[(4-methoxy-3-nitro-benzoyl)amino]acetic Acid,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.198g/mol |
| Monoisotopic Mass | 254.054g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number