Home Other Building Blocks Monomethyl adipate

Monomethyl adipate

CAS No.:
627-91-8
Catalog Number:
AG0034DA
Molecular Formula:
C7H12O4
Molecular Weight:
160.1678
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
10g
95%
In Stock USA
United States
$18
- +
25g
95%
In Stock USA
United States
$35
- +
100g
97%
In Stock USA
United States
$100
- +
500g
97%
In Stock USA
United States
$313
- +
Product Description
Catalog Number:
AG0034DA
Chemical Name:
Monomethyl adipate
CAS Number:
627-91-8
Molecular Formula:
C7H12O4
Molecular Weight:
160.1678
MDL Number:
MFCD00004418
IUPAC Name:
6-methoxy-6-oxohexanoic acid
InChI:
InChI=1S/C7H12O4/c1-11-7(10)5-3-2-4-6(8)9/h2-5H2,1H3,(H,8,9)
InChI Key:
UOBSVARXACCLLH-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCC(=O)O
EC Number:
211-019-0
UNII:
62S39VHD01
Properties
Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.074g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.169g/mol
Monoisotopic Mass:
160.074g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Oxidation of cyclohexanediol derivatives with 12-tungstophosphoric acid-hydrogen peroxide system. Journal of oleo science 20090101
Properties