| CAS Number | 1909288-13-6 |
| Catalog Number | AG01C3VR |
| Chemical Name | rac-(1R,2R)-2-[(tert-butoxy)carbonyl]cyclopropane-1-carboxylic acid, trans |
| IUPAC Name | (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C9H14O4/c1-9(2,3)13-8(12)6-4-5(6)7(10)11/h5-6H,4H2,1-3H3,(H,10,11)/t5-,6-/m1/s1 |
| InChI Key | IQIADELBDBDDAW-PHDIDXHHSA-N |
| MDL Number | MFCD29912944 |
| Molecular Formula | C9H14O4 |
| Molecular Weight | 186.2051 |
| SMILES | CC(C)(C)OC(=O)[C@@H]1C[C@H]1C(=O)O |
| Synonyms | 1909288-13-6,
202212-68-8,
KS-000005GQ,
ZINC75824206,
AKOS034812720,
EN300-257072,
Z2412196544,
(1R,2R)-2-[(tert-butoxy)carbonyl]cyclopropane-1-carboxylic acid,
rac-(1R,2R)-2-[(tert-butoxy)carbonyl]cyclopropane-1-carboxylic acid, trans,
(1S,2R)-rel-2-[(tert-butoxy)carbonyl]cyclopropane-1-carboxylic acid,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.207g/mol |
| Monoisotopic Mass | 186.089g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number