| CAS Number | 1423033-43-5 |
| Catalog Number | AG01A1JV(AGN-PC-0WO3FE) |
| Chemical Name | methyl 6-cyano-2-oxaspiro[3.3]heptane-6-carboxylate |
| IUPAC Name | methyl 6-cyano-2-oxaspiro[3.3]heptane-6-carboxylate |
| InChI | InChI=1S/C9H11NO3/c1-12-7(11)9(4-10)2-8(3-9)5-13-6-8/h2-3,5-6H2,1H3 |
| InChI Key | MINVJBSZZWVFIH-UHFFFAOYSA-N |
| MDL Number | MFCD22421870 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | COC(C1(C#N)CC2(COC2)C1)=O |
| Synonyms | methyl 6-cyano-2-oxaspiro[3.3]heptane-6-carboxylate,
1423033-43-5,
SCHEMBL18921448,
ZINC82164177,
AKOS020213257,
NE31543,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.191g/mol |
| Monoisotopic Mass | 181.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number