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68430-29-5 | 2-Oxazolidinone, 5-(hydroxymethyl)-3-(1-methylethyl)-, (S)-
CAS No: 68430-29-5 Catalog No: AG0063MD MDL No:
Product Description
Catalog Number:
AG0063MD
Chemical Name:
2-Oxazolidinone, 5-(hydroxymethyl)-3-(1-methylethyl)-, (S)-
CAS Number:
68430-29-5
Molecular Formula:
C7H13NO3
Molecular Weight:
159.1830
IUPAC Name:
(5S)-5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C7H13NO3/c1-5(2)8-3-6(4-9)11-7(8)10/h5-6,9H,3-4H2,1-2H3/t6-/m0/s1
InChI Key:
RXRVCSDDGFQDOJ-LURJTMIESA-N
SMILES:
OC[C@@H]1CN(C(=O)O1)C(C)C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
159.09g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.185g/mol
Monoisotopic Mass:
159.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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