Home Other Building Blocks 2-methyl-2-phenylpentan-3-one

2-methyl-2-phenylpentan-3-one

CAS No.:
828-60-4
Catalog Number:
AG01AJZP
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
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Product Description
Catalog Number:
AG01AJZP
Chemical Name:
2-methyl-2-phenylpentan-3-one
CAS Number:
828-60-4
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
MDL Number:
MFCD17288540
IUPAC Name:
2-methyl-2-phenylpentan-3-one
InChI:
InChI=1S/C12H16O/c1-4-11(13)12(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
InChI Key:
KEMOSTULIVJDHL-UHFFFAOYSA-N
SMILES:
CCC(=O)C(c1ccccc1)(C)C
Properties
Complexity:
176  
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:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties