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1196086-79-9 | Phosphonium, tetrabutyl-, propanedioate (2:1)
CAS No: 1196086-79-9 Catalog No: AG000P9V MDL No:
Product Description
Catalog Number:
AG000P9V
Chemical Name:
Phosphonium, tetrabutyl-, propanedioate (2:1)
CAS Number:
1196086-79-9
Molecular Formula:
C35H74O4P2
Molecular Weight:
620.9072
IUPAC Name:
propanedioate;tetrabutylphosphanium
InChI:
InChI=1S/2C16H36P.C3H4O4/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;4-2(5)1-3(6)7/h2*5-16H2,1-4H3;1H2,(H,4,5)(H,6,7)/q2*+1;/p-2
InChI Key:
WQTXZYHEQMEIDJ-UHFFFAOYSA-L
SMILES:
[O-]C(=O)CC(=O)[O-].CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
620.506g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
620.921g/mol
Monoisotopic Mass:
620.506g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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