Benzenepropanal, 4-(1,1-dimethylethyl)-a-methyl-


Chemical Name: Benzenepropanal, 4-(1,1-dimethylethyl)-a-methyl-
CAS Number: 80-54-6
Product Number: AG008MB3(AGN-PC-0UHANW)
Synonyms:
MDL No:
Molecular Formula: C14H20O
Molecular Weight: 204.3080

Identification/Properties


Computed Properties
Molecular Weight:
204.313g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
4
Exact Mass:
204.151g/mol
Monoisotopic Mass:
204.151g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
194
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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