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36861-47-9

36861-47-9 structural image
Product Name: 3-(4-METHYLBENZYLIDENE)CAMPHOR
Formula: C18H22O
Synonyms: 1,7,7-Trimethyl-3-(4-methylbenzylidene)-norbornan-2-one;1,7,7-Trimethyl-3-[(4-methylphenyl)methylene]-bicyclo[2.2.1]heptan-2-one;3-(4-Methylbenzylidene)camphor;4-MBC;4-Methylbenzylidene camphor
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Environment
GHS09
GHS Hazard Statements H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.
P391:Collect spillage. Hazardous to the aquatic environment
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 254.4 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 254.167065321 g/mol
Monoisotopic Mass 254.167065321 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 423
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes