Home Other Building Blocks 3-methyl-1-(2-methylphenyl)butan-1-one

3-methyl-1-(2-methylphenyl)butan-1-one

CAS No.:
58138-81-1
Catalog Number:
AG01AHB5
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
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Product Description
Catalog Number:
AG01AHB5
Chemical Name:
3-methyl-1-(2-methylphenyl)butan-1-one
CAS Number:
58138-81-1
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
MDL Number:
MFCD12153362
IUPAC Name:
3-methyl-1-(2-methylphenyl)butan-1-one
InChI:
InChI=1S/C12H16O/c1-9(2)8-12(13)11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3
InChI Key:
NXHBKNYNOYNTDZ-UHFFFAOYSA-N
SMILES:
CC(CC(=O)c1ccccc1C)C
Properties
Complexity:
172  
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:
3.2  
Properties