Home Carboxys diethyl cyclohex-3-ene-1,1-dicarboxylate

diethyl cyclohex-3-ene-1,1-dicarboxylate

CAS No.:
38511-09-0
Catalog Number:
AG0079BU
Molecular Formula:
C12H18O4
Molecular Weight:
226.2689
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Product Description
Catalog Number:
AG0079BU
Chemical Name:
diethyl cyclohex-3-ene-1,1-dicarboxylate
CAS Number:
38511-09-0
Molecular Formula:
C12H18O4
Molecular Weight:
226.2689
MDL Number:
MFCD29060232
IUPAC Name:
diethyl cyclohex-3-ene-1,1-dicarboxylate
InChI:
InChI=1S/C12H18O4/c1-3-15-10(13)12(11(14)16-4-2)8-6-5-7-9-12/h5-6H,3-4,7-9H2,1-2H3
InChI Key:
JGDYSYLLIATOOX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCC=CC1)C(=O)OCC
NSC Number:
137439
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
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:
2.2  
Properties