Home Other Building Blocks 5-Methyl-3-oxo-hexanoic acid ethyl ester

5-Methyl-3-oxo-hexanoic acid ethyl ester

CAS No.:
34036-16-3
Catalog Number:
AG00382D
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$119
- +
5g
97%
In Stock USA
United States
$369
- +
10g
97%
In Stock USA
United States
$675
- +
Product Description
Catalog Number:
AG00382D
Chemical Name:
5-Methyl-3-oxo-hexanoic acid ethyl ester
CAS Number:
34036-16-3
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD00086868
IUPAC Name:
ethyl 5-methyl-3-oxohexanoate
InChI:
InChI=1S/C9H16O3/c1-4-12-9(11)6-8(10)5-7(2)3/h7H,4-6H2,1-3H3
InChI Key:
FNVGQABNHXEIBU-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)CC(C)C
EC Number:
251-802-4
NSC Number:
69069
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties