Home Other Building Blocks 1-(4-tert-butylphenyl)prop-2-yn-1-one

1-(4-tert-butylphenyl)prop-2-yn-1-one

CAS No.:
159424-05-2
Catalog Number:
AG01BU92
Molecular Formula:
C13H14O
Molecular Weight:
186.2497
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Product Description
Catalog Number:
AG01BU92
Chemical Name:
1-(4-tert-butylphenyl)prop-2-yn-1-one
CAS Number:
159424-05-2
Molecular Formula:
C13H14O
Molecular Weight:
186.2497
MDL Number:
MFCD29926909
IUPAC Name:
1-(4-tert-butylphenyl)prop-2-yn-1-one
InChI:
InChI=1S/C13H14O/c1-5-12(14)10-6-8-11(9-7-10)13(2,3)4/h1,6-9H,2-4H3
InChI Key:
SFRUVSDHWKYMHZ-UHFFFAOYSA-N
SMILES:
C#CC(=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.104g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.254g/mol
Monoisotopic Mass:
186.104g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties