Home Other Building Blocks 1-(4-Methylphenyl)-Butanone

1-(4-Methylphenyl)-Butanone

CAS No.:
4160-52-5
Catalog Number:
AG003D0M
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
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Product Description
Catalog Number:
AG003D0M
Chemical Name:
1-(4-Methylphenyl)-Butanone
CAS Number:
4160-52-5
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
MDL Number:
MFCD00027139
IUPAC Name:
1-(4-methylphenyl)butan-1-one
InChI:
InChI=1S/C11H14O/c1-3-4-11(12)10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3
InChI Key:
CIYAESDXUTVTAL-UHFFFAOYSA-N
SMILES:
CCC(=O)Cc1ccc(cc1)C
EC Number:
223-996-0
NSC Number:
163487
Properties
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.104g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.232g/mol
Monoisotopic Mass:
162.104g/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