Home Other Building Blocks 2,2-dimethyl-3-phenylcyclobutan-1-one

2,2-dimethyl-3-phenylcyclobutan-1-one

CAS No.:
4056-87-5
Catalog Number:
AG01A142
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
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Product Description
Catalog Number:
AG01A142
Chemical Name:
2,2-dimethyl-3-phenylcyclobutan-1-one
CAS Number:
4056-87-5
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
MDL Number:
MFCD22392163
IUPAC Name:
2,2-dimethyl-3-phenylcyclobutan-1-one
InChI:
InChI=1S/C12H14O/c1-12(2)10(8-11(12)13)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChI Key:
RQFJJICAYZMXDO-UHFFFAOYSA-N
SMILES:
O=C1CC(C1(C)C)c1ccccc1
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.104g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.243g/mol
Monoisotopic Mass:
174.104g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties