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89342-98-3 | 5(4H)-Oxazolone, 2-[2-[(2-hydroxyethyl)thio]ethyl]-4,4-dimethyl-
CAS No: 89342-98-3 Catalog No: AG0086OE MDL No:
Product Description
Catalog Number:
AG0086OE
Chemical Name:
5(4H)-Oxazolone, 2-[2-[(2-hydroxyethyl)thio]ethyl]-4,4-dimethyl-
CAS Number:
89342-98-3
Molecular Formula:
C9H15NO3S
Molecular Weight:
217.2853
IUPAC Name:
2-[2-(2-hydroxyethylsulfanyl)ethyl]-4,4-dimethyl-1,3-oxazol-5-one
InChI:
InChI=1S/C9H15NO3S/c1-9(2)8(12)13-7(10-9)3-5-14-6-4-11/h11H,3-6H2,1-2H3
InChI Key:
GASDWROYKFZSPC-UHFFFAOYSA-N
SMILES:
OCCSCCC1=NC(C(=O)O1)(C)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.283g/mol
Monoisotopic Mass:
217.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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