Home Other Building Blocks 3-Heptanone, 2,2-dimethyl-

3-Heptanone, 2,2-dimethyl-

CAS No.:
19078-97-8
Catalog Number:
AG002ETE
Molecular Formula:
C9H18O
Molecular Weight:
142.2386
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Product Description
Catalog Number:
AG002ETE
Chemical Name:
3-Heptanone, 2,2-dimethyl-
CAS Number:
19078-97-8
Molecular Formula:
C9H18O
Molecular Weight:
142.2386
MDL Number:
MFCD00027238
IUPAC Name:
2,2-dimethylheptan-3-one
InChI:
InChI=1S/C9H18O/c1-5-6-7-8(10)9(2,3)4/h5-7H2,1-4H3
InChI Key:
ZLMHETMAEHQFHK-UHFFFAOYSA-N
SMILES:
CCCCC(=O)C(C)(C)C
Properties
Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.136g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.242g/mol
Monoisotopic Mass:
142.136g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties