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89053-52-1 | 4-Oxazolidinone, 2,2,3-trimethyl-5-(1-methylethyl)-, (S)-
CAS No: 89053-52-1 Catalog No: AG0087SR MDL No:
Product Description
Catalog Number:
AG0087SR
Chemical Name:
4-Oxazolidinone, 2,2,3-trimethyl-5-(1-methylethyl)-, (S)-
CAS Number:
89053-52-1
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
IUPAC Name:
(5S)-2,2,3-trimethyl-5-propan-2-yl-1,3-oxazolidin-4-one
InChI:
InChI=1S/C9H17NO2/c1-6(2)7-8(11)10(5)9(3,4)12-7/h6-7H,1-5H3/t7-/m0/s1
InChI Key:
RJRMQDNKFZDYMG-ZETCQYMHSA-N
SMILES:
CC([C@@H]1OC(N(C1=O)C)(C)C)C
Properties
Complexity:
199
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:
0
Isotope Atom Count:
0
Molecular Weight:
171.24g/mol
Monoisotopic Mass:
171.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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