Home Other Building Blocks 7-hydroxy-6,6-dimethylheptan-2-one

7-hydroxy-6,6-dimethylheptan-2-one

CAS No.:
920-14-9
Catalog Number:
AG01C578
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
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Product Description
Catalog Number:
AG01C578
Chemical Name:
7-hydroxy-6,6-dimethylheptan-2-one
CAS Number:
920-14-9
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
MDL Number:
MFCD24692100
IUPAC Name:
7-hydroxy-6,6-dimethylheptan-2-one
InChI:
InChI=1S/C9H18O2/c1-8(11)5-4-6-9(2,3)7-10/h10H,4-7H2,1-3H3
InChI Key:
GKUBHPINPKTGJY-UHFFFAOYSA-N
SMILES:
OCC(CCCC(=O)C)(C)C
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.131g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.241g/mol
Monoisotopic Mass:
158.131g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties