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88919-64-6 | 2-Furanoctanoic acid, tetrahydro-5-(1-iodohexyl)-
CAS No: 88919-64-6 Catalog No: AG0048SY MDL No:
Product Description
Catalog Number:
AG0048SY
Chemical Name:
2-Furanoctanoic acid, tetrahydro-5-(1-iodohexyl)-
CAS Number:
88919-64-6
Molecular Formula:
C18H33IO3
Molecular Weight:
424.3573
IUPAC Name:
8-[5-(1-iodohexyl)oxolan-2-yl]octanoic acid
InChI:
InChI=1S/C18H33IO3/c1-2-3-7-11-16(19)17-14-13-15(22-17)10-8-5-4-6-9-12-18(20)21/h15-17H,2-14H2,1H3,(H,20,21)
InChI Key:
RRPFPBVBIAOSME-UHFFFAOYSA-N
SMILES:
CCCCCC(C1CCC(O1)CCCCCCCC(=O)O)I
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
424.363g/mol
Monoisotopic Mass:
424.147g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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