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85288-36-4 | 4-(4-TERT-BUTYLPHENYL)-1,3-OXAZOLIDIN-2-ONE
CAS No: 85288-36-4 Catalog No: AG01EIFQ MDL No:MFCD21266355
Product Description
Catalog Number:
AG01EIFQ
Chemical Name:
4-(4-TERT-BUTYLPHENYL)-1,3-OXAZOLIDIN-2-ONE
CAS Number:
85288-36-4
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
MDL Number:
MFCD21266355
IUPAC Name:
4-(4-tert-butylphenyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C13H17NO2/c1-13(2,3)10-6-4-9(5-7-10)11-8-16-12(15)14-11/h4-7,11H,8H2,1-3H3,(H,14,15)
InChI Key:
NHFRFGVAGVRFGK-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)C1COC(=O)N1)(C)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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