| CAS Number | 56424-81-8 |
| Catalog Number | AG00ENAR(AGN-PC-0LVQQO) |
| Chemical Name | 2-(carbamoylmethoxy)benzoic acid |
| IUPAC Name | 2-(2-amino-2-oxoethoxy)benzoic acid |
| InChI | InChI=1S/C9H9NO4/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H2,10,11)(H,12,13) |
| InChI Key | UKHQVRKUAZGYQM-UHFFFAOYSA-N |
| MDL Number | MFCD04508187 |
| Molecular Formula | C9H9NO4 |
| Molecular Weight | 195.1721 |
| SMILES | NC(COC1=C(C(O)=O)C=CC=C1)=O |
| Synonyms | 2-(2-amino-2-oxoethoxy)benzoic acid,
56424-81-8,
2-(carbamoylmethoxy)benzoic Acid,
AC1LJ2TV,
AC1Q4ZPQ,
MLS000760930,
SCHEMBL6538688,
CHEMBL1577740,
CTK5A5111,
DTXSID30359518,
HMS2731J10,
ZINC582079,
MFCD04508187,
AKOS000264307,
NE18503,
SMR000372238,
EN300-15368,
Z57085648,
4-Fluoro-2-nitrobenzaldehyde,
CID967324,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.174g/mol |
| Monoisotopic Mass | 195.053g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 89.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number