Home Other Building Blocks 1-(2-tert-butylphenyl)ethan-1-one

1-(2-tert-butylphenyl)ethan-1-one

CAS No.:
22583-61-5
Catalog Number:
AG01A2E8
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
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Product Description
Catalog Number:
AG01A2E8
Chemical Name:
1-(2-tert-butylphenyl)ethan-1-one
CAS Number:
22583-61-5
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
MDL Number:
MFCD19369793
IUPAC Name:
1-(2-tert-butylphenyl)ethanone
InChI:
InChI=1S/C12H16O/c1-9(13)10-7-5-6-8-11(10)12(2,3)4/h5-8H,1-4H3
InChI Key:
MKDNDFZMUIMPPY-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccccc1C(C)(C)C
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties