Home Other Building Blocks methyl 3-methyl-5-oxohexanoate

methyl 3-methyl-5-oxohexanoate

CAS No.:
14983-18-7
Catalog Number:
AG01BUTT
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
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Product Description
Catalog Number:
AG01BUTT
Chemical Name:
methyl 3-methyl-5-oxohexanoate
CAS Number:
14983-18-7
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD24689265
IUPAC Name:
methyl 3-methyl-5-oxohexanoate
InChI:
InChI=1S/C8H14O3/c1-6(4-7(2)9)5-8(10)11-3/h6H,4-5H2,1-3H3
InChI Key:
QIZFMIXTHKTRJG-UHFFFAOYSA-N
SMILES:
COC(=O)CC(CC(=O)C)C
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties