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943-27-1

943-27-1 | 4'-tert-Butylacetophenone

CAS No: 943-27-1 Catalog No: AG0038IW MDL No:MFCD00017256

Product Description

Catalog Number:
AG0038IW
Chemical Name:
4'-tert-Butylacetophenone
CAS Number:
943-27-1
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
MDL Number:
MFCD00017256
IUPAC Name:
1-(4-tert-butylphenyl)ethanone
InChI:
InChI=1S/C12H16O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-8H,1-4H3
InChI Key:
UYFJYGWNYQCHOB-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)C(C)(C)C
EC Number:
213-399-3
NSC Number:
826

Properties

Complexity:
180  
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:
3.4  

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