6-Hydroxy-3,4-dihydro-1(2H)-naphthalenone - CAS 3470-50-6
Catalog: |
BB022250 |
Product Name: |
6-Hydroxy-3,4-dihydro-1(2H)-naphthalenone |
CAS: |
3470-50-6 |
Synonyms: |
6-hydroxy-3,4-dihydro-2H-naphthalen-1-one |
IUPAC Name: | 6-hydroxy-3,4-dihydro-2H-naphthalen-1-one |
Description: | 6-Hydroxy-3,4-dihydro-1(2H)-naphthalenone (CAS# 3470-50-6) is used as a starting material for a one-pot conversion of phenols to anilines. |
Molecular Weight: | 162.19 |
Molecular Formula: | C10H10O2 |
Canonical SMILES: | C1CC2=C(C=CC(=C2)O)C(=O)C1 |
InChI: | InChI=1S/C10H10O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6,11H,1-3H2 |
InChI Key: | FNSQPQKPPGALFA-UHFFFAOYSA-N |
Boiling Point: | 311.2 °C at 760 mmHg |
Density: | 1.097 g/cm3 |
MDL: | MFCD00156670 |
LogP: | 1.91120 |
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 |
22470321 | 20120101 | Novel chalcone-based fluorescent human histamine h(3) receptor ligands as pharmacological tools | Frontiers in systems neuroscience |
16279770 | 20051117 | Novel tetralone-derived retinoic acid metabolism blocking agents: synthesis and in vitro evaluation with liver microsomal and MCF-7 CYP26A1 cell assays | Journal of medicinal chemistry |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.068079557 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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