| CAS Number | 61967-50-8 |
| Catalog Number | AG00IMAR(AGN-PC-0T2EU7) |
| Chemical Name | rac-(1R,2S)-2-ethynylcyclopentan-1-ol |
| IUPAC Name | (1R,2S)-2-ethynylcyclopentan-1-ol |
| InChI | InChI=1S/C7H10O/c1-2-6-4-3-5-7(6)8/h1,6-8H,3-5H2/t6-,7-/m1/s1 |
| InChI Key | JRZIIUSKYKGRDH-RNFRBKRXSA-N |
| MDL Number | MFCD00795962 |
| Molecular Formula | C7H10O |
| Molecular Weight | 110.1537 |
| SMILES | O[C@H]1[C@H](C#C)CCC1 |
| Synonyms | trans-2-Ethynylcyclopentanol,
SCHEMBL10486244,
2alpha-Ethynylcyclopentan-1beta-ol,
ZINC3106322,
(1R,2S)-2-ethynylcyclopentan-1-ol,
AJ-44471,
CJ-10565,
61967-50-8,
F1912-1685,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 110.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 110.156g/mol |
| Monoisotopic Mass | 110.073g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number