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128111-61-5 | 2-Butenedioic acid, 1,4-bis(2-ethylhexyl) ester
CAS No: 128111-61-5 Catalog No: AG000XT2 MDL No:
Product Description
Catalog Number:
AG000XT2
Chemical Name:
2-Butenedioic acid, 1,4-bis(2-ethylhexyl) ester
CAS Number:
128111-61-5
Molecular Formula:
C20H36O4
Molecular Weight:
340.4974
IUPAC Name:
4-(3-ethyloctan-3-yloxy)-4-oxobut-2-enoate
InChI:
InChI=1S/C14H24O4/c1-4-7-8-11-14(5-2,6-3)18-13(17)10-9-12(15)16/h9-10H,4-8,11H2,1-3H3,(H,15,16)/p-1
InChI Key:
YHNCDHICZBJZSJ-UHFFFAOYSA-M
SMILES:
CCCCC(COC(=O)C=CC(=O)OCC(CCCC)CC)CC
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.16g/mol
Formal Charge:
-1
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.334g/mol
Monoisotopic Mass:
255.16g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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