sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys Trans-4-oxo-1,2-cyclohexanedicarboxylic acid dimethyl ester

Trans-4-oxo-1,2-cyclohexanedicarboxylic acid dimethyl ester

CAS No.:
13991-44-1
Catalog Number:
AG001BSU
Molecular Formula:
C10H14O5
Molecular Weight:
214.2152
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$25
- +
5g
95%
In Stock USA
United States
$88
- +
10g
95%
In Stock USA
United States
$150
- +
25g
95%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG001BSU
Chemical Name:
Trans-4-oxo-1,2-cyclohexanedicarboxylic acid dimethyl ester
CAS Number:
13991-44-1
Molecular Formula:
C10H14O5
Molecular Weight:
214.2152
MDL Number:
MFCD20926192
IUPAC Name:
dimethyl (1R,2R)-4-oxocyclohexane-1,2-dicarboxylate
InChI:
InChI=1S/C10H14O5/c1-14-9(12)7-4-3-6(11)5-8(7)10(13)15-2/h7-8H,3-5H2,1-2H3/t7-,8-/m1/s1
InChI Key:
HUKIJZIDGFUNMG-HTQZYQBOSA-N
SMILES:
COC(=O)[C@@H]1CC(=O)CC[C@H]1C(=O)OC
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
214.084g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.217g/mol
Monoisotopic Mass:
214.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties