| CAS Number | 61935-48-6 |
| Catalog Number | AG00EALW(AGN-PC-0T2D48) |
| Chemical Name | Z-1,2-Trans-achc-oh |
| IUPAC Name | (1S,2S)-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C15H19NO4/c17-14(18)12-8-4-5-9-13(12)16-15(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H,16,19)(H,17,18)/t12-,13-/m0/s1 |
| InChI Key | RPJMLWMATNCSIS-STQMWFEESA-N |
| MDL Number | MFCD03844616 |
| Molecular Formula | C15H19NO4 |
| Molecular Weight | 277.3157 |
| SMILES | OC([C@@H]1[C@@H](NC(OCC2=CC=CC=C2)=O)CCCC1)=O |
| Synonyms | Z-1,2-TRANS-ACHC-OH,
61935-48-6,
MFCD03844616,
TRANS-1-(BENZYLOXYCARBONYL-AMINO)-CYCLOHEXYL-2-CARBOXYLIC ACID,
SCHEMBL10007480,
KM0558,
ZINC39240238,
(1S,2S)-2-(benzyloxycarbonylamino)cyclohexanecarboxylic acid,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.32g/mol |
| Monoisotopic Mass | 277.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number