Home Other Building Blocks 2-Pentanone,4-methyl-4-(4-methylphenyl)-

2-Pentanone,4-methyl-4-(4-methylphenyl)-

CAS No.:
10528-65-1
Catalog Number:
AG00857M
Molecular Formula:
C13H18O
Molecular Weight:
190.2814
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Product Description
Catalog Number:
AG00857M
Chemical Name:
2-Pentanone,4-methyl-4-(4-methylphenyl)-
CAS Number:
10528-65-1
Molecular Formula:
C13H18O
Molecular Weight:
190.2814
MDL Number:
MFCD00156732
IUPAC Name:
4-methyl-4-(4-methylphenyl)pentan-2-one
InChI:
InChI=1S/C13H18O/c1-10-5-7-12(8-6-10)13(3,4)9-11(2)14/h5-8H,9H2,1-4H3
InChI Key:
QZRGDINMCFJQNO-UHFFFAOYSA-N
SMILES:
CC(=O)CC(c1ccc(cc1)C)(C)C
NSC Number:
23498
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.136g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.286g/mol
Monoisotopic Mass:
190.136g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties