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13675-20-2 | Ethanedioic acid, 1,2-bis(2-ethylhexyl) ester
CAS No: 13675-20-2 Catalog No: AG0012AW MDL No:
Product Description
Catalog Number:
AG0012AW
Chemical Name:
Ethanedioic acid, 1,2-bis(2-ethylhexyl) ester
CAS Number:
13675-20-2
Molecular Formula:
C18H34O4
Molecular Weight:
314.4602
IUPAC Name:
bis(2-ethylhexyl) oxalate
InChI:
InChI=1S/C18H34O4/c1-5-9-11-15(7-3)13-21-17(19)18(20)22-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3
InChI Key:
UNJCTNQOWIWHFN-UHFFFAOYSA-N
SMILES:
CCCCC(COC(=O)C(=O)OCC(CCCC)CC)CC
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.246g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.466g/mol
Monoisotopic Mass:
314.246g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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