Home Other Building Blocks 2-(propan-2-yl)cyclobutan-1-one

2-(propan-2-yl)cyclobutan-1-one

CAS No.:
27608-63-5
Catalog Number:
AG01B9W8
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
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Product Description
Catalog Number:
AG01B9W8
Chemical Name:
2-(propan-2-yl)cyclobutan-1-one
CAS Number:
27608-63-5
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
MDL Number:
MFCD24688910
IUPAC Name:
2-propan-2-ylcyclobutan-1-one
InChI:
InChI=1S/C7H12O/c1-5(2)6-3-4-7(6)8/h5-6H,3-4H2,1-2H3
InChI Key:
SHZQRYVAUCNNAV-UHFFFAOYSA-N
SMILES:
CC(C1CCC1=O)C
Properties
Complexity:
105  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties