| CAS Number | 4576-30-1 |
| Catalog Number | AG00DA1C(AGN-PC-0RU232) |
| Chemical Name | rel-(1R,2S,3R,4S)-3-Amino-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid |
| IUPAC Name | (1R,2S,3R,4S)-3-amino-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid |
| InChI | InChI=1S/C7H11NO3/c8-6-4-2-1-3(11-4)5(6)7(9)10/h3-6H,1-2,8H2,(H,9,10)/t3-,4+,5-,6+/m1/s1 |
| InChI Key | IBJRDBSWQMNJKY-MOJAZDJTSA-N |
| MDL Number | MFCD07783750 |
| Molecular Formula | C7H11NO3 |
| Molecular Weight | 157.1671 |
| SMILES | OC(=O)[C@@H]1[C@H]2CC[C@@H]([C@@H]1N)O2 |
| Synonyms | diexo-3-Amino-7-oxa-bicyclo[2.2.1]heptane-2-carboxylic acid,
4576-30-1,
SCHEMBL3212838,
CTK8F9188,
MFCD07783750,
ZINC32098941,
AKOS006283003,
AB42820,
T6539,
DIEXO-3-AMINO-7-OXA-BICYCLO[2.2.1]HEPTANE-2-CARBOXYLICACID,
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| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.169g/mol |
| Monoisotopic Mass | 157.074g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number