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90812-91-2 | Phosphonium, [4-(3-furanyl)butyl]triphenyl-, iodide
CAS No: 90812-91-2 Catalog No: AG006A6B MDL No:
Product Description
Catalog Number:
AG006A6B
Chemical Name:
Phosphonium, [4-(3-furanyl)butyl]triphenyl-, iodide
CAS Number:
90812-91-2
Molecular Formula:
C26H26IOP
Molecular Weight:
512.3623
IUPAC Name:
4-(furan-3-yl)butyl-triphenylphosphanium;iodide
InChI:
InChI=1S/C26H26OP.HI/c1-4-13-24(14-5-1)28(25-15-6-2-7-16-25,26-17-8-3-9-18-26)21-11-10-12-23-19-20-27-22-23;/h1-9,13-20,22H,10-12,21H2;1H/q+1;/p-1
InChI Key:
QIKRSRUDRREQFQ-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)CCCCc1cocc1.[I-]
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
512.077g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
512.371g/mol
Monoisotopic Mass:
512.077g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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