| CAS Number | 83249-07-4 |
| Catalog Number | AG01B1QR(AGN-PC-0WOS9F) |
| Chemical Name | 3-(acetyloxy)bicyclo[1.1.1]pentane-1-carboxylic acid |
| IUPAC Name | 3-acetyloxybicyclo[1.1.1]pentane-1-carboxylic acid |
| InChI | InChI=1S/C8H10O4/c1-5(9)12-8-2-7(3-8,4-8)6(10)11/h2-4H2,1H3,(H,10,11) |
| InChI Key | LFEBEDJATCFMRD-UHFFFAOYSA-N |
| MDL Number | MFCD20653291 |
| Molecular Formula | C8H10O4 |
| Molecular Weight | 170.1626 |
| SMILES | CC(O[C@]12C[C@](C(O)=O)(C1)C2)=O |
| Synonyms | 3-(acetyloxy)bicyclo[1.1.1]pentane-1-carboxylic acid,
83249-07-4,
3-acetoxybicyclo[1.1.1]pentane-1-carboxylic acid,
AKOS025397040,
ZINC238134997,
CS-0078491,
Z2510258248,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.164g/mol |
| Monoisotopic Mass | 170.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number