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114318-35-3 | Dodecanedioic acid, 2,11-dioxo-, 1,12-diethyl ester
CAS No: 114318-35-3 Catalog No: AG000B2V MDL No:
Product Description
Catalog Number:
AG000B2V
Chemical Name:
Dodecanedioic acid, 2,11-dioxo-, 1,12-diethyl ester
CAS Number:
114318-35-3
Molecular Formula:
C16H26O6
Molecular Weight:
314.3740
IUPAC Name:
diethyl 2,11-dioxododecanedioate
InChI:
InChI=1S/C16H26O6/c1-3-21-15(19)13(17)11-9-7-5-6-8-10-12-14(18)16(20)22-4-2/h3-12H2,1-2H3
InChI Key:
PPRIYVPMWBAKPY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)CCCCCCCCC(=O)C(=O)OCC
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.173g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.378g/mol
Monoisotopic Mass:
314.173g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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