7-Hydroxy-1-indanone - CAS 6968-35-0
Catalog: |
BB033926 |
Product Name: |
7-Hydroxy-1-indanone |
CAS: |
6968-35-0 |
Synonyms: |
7-hydroxy-2,3-dihydroinden-1-one |
IUPAC Name: | 7-hydroxy-2,3-dihydroinden-1-one |
Description: | 7-Hydroxy-1-indanone (CAS# 6968-35-0) is a useful research chemical. |
Molecular Weight: | 148.16 |
Molecular Formula: | C9H8O2 |
Canonical SMILES: | C1CC(=O)C2=C1C=CC=C2O |
InChI: | InChI=1S/C9H8O2/c10-7-3-1-2-6-4-5-8(11)9(6)7/h1-3,10H,4-5H2 |
InChI Key: | HFMZPBSZKCDKOR-UHFFFAOYSA-N |
Boiling Point: | 310.3 °C at 760 mmHg |
Density: | 1.305 g/cm3 |
MDL: | MFCD01548387 |
LogP: | 1.52110 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22259444 | 20120101 | 1-Hy-droxy-11H-benzo[b]fluoren-11-one | Acta crystallographica. Section E, Structure reports online |
21957929 | 20111109 | Fine tuning the energetics of excited-state intramolecular proton transfer (ESIPT): white light generation in a single ESIPT system | Journal of the American Chemical Society |
21754197 | 20110401 | 7-Hy-droxy-indan-1-one | Acta crystallographica. Section E, Structure reports online |
21754249 | 20110401 | 5-Hy-droxy-indan-1-one | Acta crystallographica. Section E, Structure reports online |
16833649 | 20050414 | Excited-state intramolecular proton transfer: a survey of TDDFT and RI-CC2 excited-state potential energy surfaces | The journal of physical chemistry. A |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.052429494 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.052429494 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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