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115476-04-5 | Phosphonium, (7-carboxyheptyl)triphenyl-, iodide (1:1)
CAS No: 115476-04-5 Catalog No: AG000G23 MDL No:
Product Description
Catalog Number:
AG000G23
Chemical Name:
Phosphonium, (7-carboxyheptyl)triphenyl-, iodide (1:1)
CAS Number:
115476-04-5
Molecular Formula:
C26H30IO2P
Molecular Weight:
532.3934
IUPAC Name:
7-carboxyheptyl(triphenyl)phosphanium;iodide
InChI:
InChI=1S/C26H29O2P.HI/c27-26(28)21-13-2-1-3-14-22-29(23-15-7-4-8-16-23,24-17-9-5-10-18-24)25-19-11-6-12-20-25;/h4-12,15-20H,1-3,13-14,21-22H2;1H
InChI Key:
MDAYCDUQRMMRQH-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
532.103g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
532.402g/mol
Monoisotopic Mass:
532.103g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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