5-Acenaphthenecarboxaldehyde - CAS 5345-46-0
Catalog: |
BB028226 |
Product Name: |
5-Acenaphthenecarboxaldehyde |
CAS: |
5345-46-0 |
Synonyms: |
1,2-dihydroacenaphthylene-5-carbaldehyde |
IUPAC Name: | 1,2-dihydroacenaphthylene-5-carbaldehyde |
Description: | 5-Acenaphthenecarboxaldehyde (CAS# 5345-46-0) is a useful research chemical. |
Molecular Weight: | 182.22 |
Molecular Formula: | C13H10O |
Canonical SMILES: | C1CC2=CC=CC3=C(C=CC1=C23)C=O |
InChI: | InChI=1S/C13H10O/c14-8-11-7-6-10-5-4-9-2-1-3-12(11)13(9)10/h1-3,6-8H,4-5H2 |
InChI Key: | VNEOTRCBGZQYJT-UHFFFAOYSA-N |
Boiling Point: | 367.2 °C at 760 mmHg |
Density: | 1.243 g/cm3 |
Appearance: | White to yellow to tan solid, powder or crystals |
MDL: | MFCD00805838 |
LogP: | 2.75090 |
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 |
Publication Number | Title | Priority Date |
US-2015239859-A1 | Peripherally-acting cannabinoid receptor agonists for chronic pain | 20120720 |
US-2017240521-A1 | Peripherally-acting cannabinoid receptor agonists for chronic pain | 20120720 |
US-9656981-B2 | Peripherally-acting cannabinoid receptor agonists for chronic pain | 20120720 |
JP-2014218492-A | Fullerene derivative and method for producing the same | 20120717 |
US-9196843-B2 | Fullerene derivative, and method of preparing the same | 20120717 |
Complexity: | 235 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.073164938 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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