Home Carbonyls Diethyl 3-(ethoxycarbonyl)hexanediate

Diethyl 3-(ethoxycarbonyl)hexanediate

CAS No.:
1188-35-8
Catalog Number:
AG008UEE
Molecular Formula:
C13H22O6
Molecular Weight:
274.3102
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Product Description
Catalog Number:
AG008UEE
Chemical Name:
Diethyl 3-(ethoxycarbonyl)hexanediate
CAS Number:
1188-35-8
Molecular Formula:
C13H22O6
Molecular Weight:
274.3102
MDL Number:
MFCD28155103
IUPAC Name:
triethyl butane-1,2,4-tricarboxylate
InChI:
InChI=1S/C13H22O6/c1-4-17-11(14)8-7-10(13(16)19-6-3)9-12(15)18-5-2/h10H,4-9H2,1-3H3
InChI Key:
CKNUUYLRWBMMIE-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(C(=O)OCC)CC(=O)OCC
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.142g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.313g/mol
Monoisotopic Mass:
274.142g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties