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89053-53-2 | 4-Oxazolidinone, 2,2-dimethyl-5-(2-methylpropyl)-, (S)-
CAS No: 89053-53-2 Catalog No: AG0041NR MDL No:
Product Description
Catalog Number:
AG0041NR
Chemical Name:
4-Oxazolidinone, 2,2-dimethyl-5-(2-methylpropyl)-, (S)-
CAS Number:
89053-53-2
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
IUPAC Name:
(5S)-2,2-dimethyl-5-(2-methylpropyl)-1,3-oxazolidin-4-one
InChI:
InChI=1S/C9H17NO2/c1-6(2)5-7-8(11)10-9(3,4)12-7/h6-7H,5H2,1-4H3,(H,10,11)/t7-/m0/s1
InChI Key:
WAYZWFUWJTUTFM-ZETCQYMHSA-N
SMILES:
CC(C[C@@H]1OC(NC1=O)(C)C)C
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
171.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.24g/mol
Monoisotopic Mass:
171.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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