1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-methyl-


Chemical Name: 1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-methyl-
CAS Number: 20007-72-1
Product Number: AG002CIR(AGN-PC-0JLXYC)
Synonyms:
MDL No:
Molecular Formula: C11H14O2
Molecular Weight: 178.2277

Identification/Properties


Properties
MP:
47-50 °C(lit.)
BP:
109-115 °C/0.05 mmHg(lit.)
Storage:
2-8℃;
Form:
Solid
Refractive Index:
1.5010 (estimate)
Computed Properties
Molecular Weight:
178.231g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
178.099g/mol
Monoisotopic Mass:
178.099g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
301
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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