Home Other Building Blocks Methyl 6-oxoheptanoate

Methyl 6-oxoheptanoate

CAS No.:
2046-21-1
Catalog Number:
AG0029LM
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
1 week
United States
$42
- +
1g
98%
1 week
United States
$105
- +
Product Description
Catalog Number:
AG0029LM
Chemical Name:
Methyl 6-oxoheptanoate
CAS Number:
2046-21-1
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD22376711
IUPAC Name:
methyl 6-oxoheptanoate
InChI:
InChI=1S/C8H14O3/c1-7(9)5-3-4-6-8(10)11-2/h3-6H2,1-2H3
InChI Key:
BSBYQAYWPXHLPQ-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCC(=O)C
NSC Number:
148317
Properties
Complexity:
140  
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:
6  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
Synthesis of peptidomimetics, δ- and ε-lactam tetrazoles. Molecular diversity 20120801
Properties