| CAS Number | 28179-02-4 |
| Catalog Number | AG01DHCG(AGN-PC-01ZW9X) |
| Chemical Name | 5-Acetyl-4-indanol |
| IUPAC Name | 1-(4-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanone |
| InChI | InChI=1S/C11H12O2/c1-7(12)9-6-5-8-3-2-4-10(8)11(9)13/h5-6,13H,2-4H2,1H3 |
| InChI Key | WLOCMAAVURAHCA-UHFFFAOYSA-N |
| MDL Number | MFCD24690967 |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.2118 |
| SMILES | CC(C1=C(O)C2=C(CCC2)C=C1)=O |
| Synonyms | 5-ACetyl-4-indanol,
28179-02-4,
SCHEMBL7208190,
WLOCMAAVURAHCA-UHFFFAOYSA-N,
1-(4-hydroxy-indan-5-yl)-ethanone,
1-(2,3-dihydro-4-hydroxy-1H-inden-5-yl)ethanone,
1-(4-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanone,
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| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.215g/mol |
| Monoisotopic Mass | 176.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number