| CAS Number | 287194-41-6 |
| Catalog Number | AG00BF6Z(AGN-PC-0R4GW8) |
| Chemical Name | 2-Hydroxy-N-[(1R,2R,6R)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide |
| IUPAC Name | 2-hydroxy-N-[(1R,2R,6R)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide |
| InChI | InChI=1S/C13H11NO5/c15-8-4-2-1-3-6(8)13(18)14-7-5-9(16)11-12(19-11)10(7)17/h1-5,10-12,15,17H,(H,14,18)/t10-,11+,12-/m1/s1 |
| InChI Key | IUOMATKBBPCLFR-GRYCIOLGSA-N |
| MDL Number | MFCD30377207 |
| Molecular Formula | C13H11NO5 |
| Molecular Weight | 261.2301 |
| SMILES | C(NC1=CC(=O)[C@@]2([H])[C@]([H])(O2)[C@@H]1O)(=O)C1=CC=CC=C1O |
| Synonyms | (+)-DHMEQ,
287194-41-6,
SCHEMBL14491796,
HY-14645A,
ZINC103691736,
CS-5817,
((addition))-DHMEQ,
2-Hydroxy-N-((1S,2S,6S)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)benzamide,
287194-40-5,
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| Complexity | 446 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.233g/mol |
| Monoisotopic Mass | 261.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 99.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number