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85223-27-4 | BISMUTH(3+) (2-METHOXYPHENOXY)ACETATE
CAS No: 85223-27-4 Catalog No: AG004M3U MDL No:
Product Description
Catalog Number:
AG004M3U
Chemical Name:
BISMUTH(3+) (2-METHOXYPHENOXY)ACETATE
CAS Number:
85223-27-4
Molecular Formula:
C27H27BiO12
Molecular Weight:
752.4765
IUPAC Name:
bismuth;2-(2-methoxyphenoxy)acetate
InChI:
InChI=1S/3C9H10O4.Bi/c3*1-12-7-4-2-3-5-8(7)13-6-9(10)11;/h3*2-5H,6H2,1H3,(H,10,11);/q;;;+3/p-3
InChI Key:
XUFDWYRPTRWGIZ-UHFFFAOYSA-K
SMILES:
COc1ccccc1OCC(=O)[O-].COc1ccccc1OCC(=O)[O-].COc1ccccc1OCC(=O)[O-].[Bi+3]
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
752.131g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
752.481g/mol
Monoisotopic Mass:
752.131g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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