Home Carboxys Diethyl trans-4-cyclohexene-1,2-dicarboxylate

Diethyl trans-4-cyclohexene-1,2-dicarboxylate

CAS No.:
5048-50-0
Catalog Number:
AG003PHI
Molecular Formula:
C12H18O4
Molecular Weight:
226.2689
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>97.0%(GC)
1 week
United States
$64
- +
5g
>97.0%(GC)
1 week
United States
$113
- +
Product Description
Catalog Number:
AG003PHI
Chemical Name:
Diethyl trans-4-cyclohexene-1,2-dicarboxylate
CAS Number:
5048-50-0
Molecular Formula:
C12H18O4
Molecular Weight:
226.2689
MDL Number:
MFCD06799457
IUPAC Name:
diethyl (1R,2R)-cyclohex-4-ene-1,2-dicarboxylate
InChI:
InChI=1S/C12H18O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3/t9-,10-/m1/s1
InChI Key:
OWVOHDKOANTMJU-NXEZZACHSA-N
SMILES:
CCOC(=O)[C@@H]1CC=CC[C@H]1C(=O)OCC
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
226.121g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.272g/mol
Monoisotopic Mass:
226.121g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties