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89660-83-3 | 3(2H)-Isoxazolone, 5-[(phenylthio)methyl]-
CAS No: 89660-83-3 Catalog No: AG0088MU MDL No:
Product Description
Catalog Number:
AG0088MU
Chemical Name:
3(2H)-Isoxazolone, 5-[(phenylthio)methyl]-
CAS Number:
89660-83-3
Molecular Formula:
C10H9NO2S
Molecular Weight:
207.2490
IUPAC Name:
5-(phenylsulfanylmethyl)-1,2-oxazol-3-one
InChI:
InChI=1S/C10H9NO2S/c12-10-6-8(13-11-10)7-14-9-4-2-1-3-5-9/h1-6H,7H2,(H,11,12)
InChI Key:
SFCCRYKGWIMYCJ-UHFFFAOYSA-N
SMILES:
O=c1[nH]oc(c1)CSc1ccccc1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.247g/mol
Monoisotopic Mass:
207.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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