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6588-16-5 | sodium 4-oxo-5,5-diphenyl-4,5-dihydro-1,3-oxazol-2-olate
CAS No: 6588-16-5 Catalog No: AG006MOX MDL No:
Product Description
Catalog Number:
AG006MOX
Chemical Name:
sodium 4-oxo-5,5-diphenyl-4,5-dihydro-1,3-oxazol-2-olate
CAS Number:
6588-16-5
Molecular Formula:
C15H10NNaO3
Molecular Weight:
275.2346
IUPAC Name:
dichloro-(4-methylphenyl)-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C7H7Cl2PS/c1-6-2-4-7(5-3-6)10(8,9)11/h2-5H,1H3
InChI Key:
SHHXFAQJKCJMOT-UHFFFAOYSA-N
SMILES:
O=C1N=C(OC1(c1ccccc1)c1ccccc1)[O-].[Na+]
EC Number:
229-519-2
NSC Number:
164964
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.938g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.067g/mol
Monoisotopic Mass:
223.938g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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