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1527513-89-8 | TrxR-IN-D9
CAS No: 1527513-89-8 Catalog No: AG01FGAK MDL No:
Product Description
Catalog Number:
AG01FGAK
Chemical Name:
TrxR-IN-D9
CAS Number:
1527513-89-8
Molecular Formula:
C25H21AuOPS
Molecular Weight:
597.4390
IUPAC Name:
diphenyl(thiophen-2-yl)phosphane;1-ethynyl-4-methoxybenzene;gold
InChI:
InChI=1S/C16H13PS.C9H8O.Au/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15;1-3-8-4-6-9(10-2)7-5-8;/h1-13H;1,4-7H,2H3;
InChI Key:
HWIUTLSXZCXKKH-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)P(c1cccs1)c1ccccc1.COc1ccc(cc1)C#C.[Au]
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
597.072g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
597.442g/mol
Monoisotopic Mass:
597.072g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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