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88647-06-7 | Propanedioic acid, [8-(5-hexyl-2-furanyl)octyl]-, diethyl ester
CAS No: 88647-06-7 Catalog No: AG00491V MDL No:
Product Description
Catalog Number:
AG00491V
Chemical Name:
Propanedioic acid, [8-(5-hexyl-2-furanyl)octyl]-, diethyl ester
CAS Number:
88647-06-7
Molecular Formula:
C25H42O5
Molecular Weight:
422.5980
IUPAC Name:
diethyl 2-[8-(5-hexylfuran-2-yl)octyl]propanedioate
InChI:
InChI=1S/C25H42O5/c1-4-7-8-13-16-21-19-20-22(30-21)17-14-11-9-10-12-15-18-23(24(26)28-5-2)25(27)29-6-3/h19-20,23H,4-18H2,1-3H3
InChI Key:
RZYKRAHBNRGERH-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(o1)CCCCCCCCC(C(=O)OCC)C(=O)OCC
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.303g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.606g/mol
Monoisotopic Mass:
422.303g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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