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158249-51-5 | 2-Oxazolidinone, 4-butyl-, (S)- (9CI)
CAS No: 158249-51-5 Catalog No: AG001Q2U MDL No:
Product Description
Catalog Number:
AG001Q2U
Chemical Name:
2-Oxazolidinone, 4-butyl-, (S)- (9CI)
CAS Number:
158249-51-5
Molecular Formula:
C7H13NO2
Molecular Weight:
143.1836
IUPAC Name:
(4S)-4-butyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C7H13NO2/c1-2-3-4-6-5-10-7(9)8-6/h6H,2-5H2,1H3,(H,8,9)/t6-/m0/s1
InChI Key:
XOTKVAZRWPADJP-LURJTMIESA-N
SMILES:
CCCC[C@H]1COC(=O)N1
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
143.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.186g/mol
Monoisotopic Mass:
143.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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