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30314-44-4

30314-44-4 | 1-Propanone, 2,2-dimethyl-1-(4-methylphenyl)-

CAS No: 30314-44-4 Catalog No: AG002ZNX MDL No:MFCD00090006

Product Description

Catalog Number:
AG002ZNX
Chemical Name:
1-Propanone, 2,2-dimethyl-1-(4-methylphenyl)-
CAS Number:
30314-44-4
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
MDL Number:
MFCD00090006
IUPAC Name:
2,2-dimethyl-1-(4-methylphenyl)propan-1-one
InChI:
InChI=1S/C12H16O/c1-9-5-7-10(8-6-9)11(13)12(2,3)4/h5-8H,1-4H3
InChI Key:
ZYWGAHRBGCEFAO-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)C(C)(C)C
UNII:
G82P4HNP7J

Properties

Complexity:
180  
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:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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