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88698-97-9 | 2-Oxazolidinone, 3-(1,1-dimethylethyl)-5-(3-hydroxyphenyl)-
CAS No: 88698-97-9 Catalog No: AG0089H4 MDL No:
Product Description
Catalog Number:
AG0089H4
Chemical Name:
2-Oxazolidinone, 3-(1,1-dimethylethyl)-5-(3-hydroxyphenyl)-
CAS Number:
88698-97-9
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
3-tert-butyl-5-(3-hydroxyphenyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C13H17NO3/c1-13(2,3)14-8-11(17-12(14)16)9-5-4-6-10(15)7-9/h4-7,11,15H,8H2,1-3H3
InChI Key:
XBICJBHTPGXADT-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)C1OC(=O)N(C1)C(C)(C)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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