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10022-60-3 | Hexanedioic acid, 1,6-bis(2-ethylbutyl) ester
CAS No: 10022-60-3 Catalog No: AG0001AD MDL No:
Product Description
Catalog Number:
AG0001AD
Chemical Name:
Hexanedioic acid, 1,6-bis(2-ethylbutyl) ester
CAS Number:
10022-60-3
Molecular Formula:
C18H34O4
Molecular Weight:
314.4602
IUPAC Name:
bis(2-ethylbutyl) hexanedioate
InChI:
InChI=1S/C18H34O4/c1-5-15(6-2)13-21-17(19)11-9-10-12-18(20)22-14-16(7-3)8-4/h15-16H,5-14H2,1-4H3
InChI Key:
BSJVZANRYHAYEA-UHFFFAOYSA-N
SMILES:
CCC(COC(=O)CCCCC(=O)OCC(CC)CC)CC
Properties
Complexity:
264
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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