| CAS Number | 14727-58-3 |
| Catalog Number | AG00B4QR(AGN-PC-0A4R6G) |
| Chemical Name | Spiro[4.4]nonan-1-one |
| IUPAC Name | spiro[4.4]nonan-4-one |
| InChI | InChI=1S/C9H14O/c10-8-4-3-7-9(8)5-1-2-6-9/h1-7H2 |
| InChI Key | QRYJGVNQNLCGGZ-UHFFFAOYSA-N |
| MDL Number | MFCD19300857 |
| Molecular Formula | C9H14O |
| Molecular Weight | 138.2069 |
| SMILES | O=C1C2(CCCC2)CCC1 |
| Synonyms | Spiro[4.4]nonan-1-one,
QRYJGVNQNLCGGZ-UHFFFAOYSA-N,
14727-58-3,
Cyclopentanspirobutyrolactam,
spiro[4.4]nonan-9-one,
AC1LC71Q,
SCHEMBL2774682,
ZINC32214209,
AKOS022504591,
MCULE-3185184224,
NS-01074,
F2167-7895,
InChI=1/C9H14O/c10-8-4-3-7-9(8)5-1-2-6-9/h1-7H,
CID549135,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.21g/mol |
| Monoisotopic Mass | 138.104g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number