| CAS Number | 1192178-33-8 |
| Catalog Number | AG000IEH(AGN-PC-0WQUNB) |
| Chemical Name | (+/-)-cis-6-Hydroxy-1-methylbicyclo[4.3.0]nonane-2,7-dione |
| IUPAC Name | (3aR,7aS)-7a-hydroxy-3a-methyl-3,5,6,7-tetrahydro-2H-indene-1,4-dione |
| InChI | InChI=1S/C10H14O3/c1-9-6-4-8(12)10(9,13)5-2-3-7(9)11/h13H,2-6H2,1H3/t9-,10+/m0/s1 |
| InChI Key | CAYWOGVLFCOLCK-VHSXEESVSA-N |
| MDL Number | MFCD20265594 |
| Molecular Formula | C10H14O3 |
| Molecular Weight | 182.2164 |
| SMILES | C[C@@]12CCC(=O)[C@]1(O)CCCC2=O |
| Synonyms | (+/-)-cis-6-Hydroxy-1-methylbicyclo[4.3.0]nonane-2,7-dione,
1192178-33-8,
CTK8A9393,
DTXSID80679192,
ANW-17293,
MFCD20265594,
ZINC72099159,
TC-106038,
3aalpha-Methyl-7aalpha-hydroxyoctahydro-1H-indene-1,4-dione,
(3aR,7aS)-7a-Hydroxy-3a-methylhexahydro-1H-indene-1,4(2H)-dione,
(+/-)-cis-Hexahydro-7a-hydroxy-3a-methyl-1H-indene-1,4(2H)-dione,
H1318,
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| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.219g/mol |
| Monoisotopic Mass | 182.094g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number