| CAS Number | 885096-06-0 |
| Catalog Number | AG00IF4C(AGN-PC-0VM04R) |
| Chemical Name | diexo-3-Amino-7-oxa-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid amide |
| IUPAC Name | (1R,2S,3R,4S)-3-amino-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxamide |
| InChI | InChI=1S/C7H10N2O2/c8-6-4-2-1-3(11-4)5(6)7(9)10/h1-6H,8H2,(H2,9,10)/t3-,4+,5-,6+/m1/s1 |
| InChI Key | TTWXSENPKHNTJG-MOJAZDJTSA-N |
| MDL Number | MFCD09475433 |
| Molecular Formula | C7H10N2O2 |
| Molecular Weight | 154.1665 |
| SMILES | NC(=O)[C@@H]1[C@H]2C=C[C@@H]([C@@H]1N)O2 |
| Synonyms | 885096-06-0,
diexo-3-Amino-7-oxa-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid amide,
MFCD09475433,
ZINC32099063,
AKOS006282788,
AB50605,
T6708,
7-Oxabicyclo[2.2.1]hept-5-ene-2-carboxamide, 3-amino-,(1R,2S,3R,4S)-rel-,
DIEXO-3-AMINO-7-OXA-BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLICACIDAMIDE,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.169g/mol |
| Monoisotopic Mass | 154.074g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number