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89660-90-2

89660-90-2 | 3(2H)-Isoxazolone, 5-[(2-naphthalenylthio)methyl]-

CAS No: 89660-90-2 Catalog No: AG0043UF MDL No:

Product Description

Catalog Number:
AG0043UF
Chemical Name:
3(2H)-Isoxazolone, 5-[(2-naphthalenylthio)methyl]-
CAS Number:
89660-90-2
Molecular Formula:
C14H11NO2S
Molecular Weight:
257.3076
IUPAC Name:
5-(naphthalen-2-ylsulfanylmethyl)-1,2-oxazol-3-one
InChI:
InChI=1S/C14H11NO2S/c16-14-8-12(17-15-14)9-18-13-6-5-10-3-1-2-4-11(10)7-13/h1-8H,9H2,(H,15,16)
InChI Key:
GCPZUBJPVDHQOT-UHFFFAOYSA-N
SMILES:
O=c1[nH]oc(c1)CSc1ccc2c(c1)cccc2

Properties

Complexity:
356  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.051g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.307g/mol
Monoisotopic Mass:
257.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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