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201594-31-2 | 2-Oxazolidinone, 3-[(1S,2S,4S)-bicyclo[2.2.2]oct-5-en-2-ylcarbonyl]-
CAS No: 201594-31-2 Catalog No: AG002DIN MDL No:
Product Description
Catalog Number:
AG002DIN
Chemical Name:
2-Oxazolidinone, 3-[(1S,2S,4S)-bicyclo[2.2.2]oct-5-en-2-ylcarbonyl]-
CAS Number:
201594-31-2
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
IUPAC Name:
3-[(1S,2S,4S)-bicyclo[2.2.2]oct-5-ene-2-carbonyl]-1,3-oxazolidin-2-one
InChI:
InChI=1S/C12H15NO3/c14-11(13-5-6-16-12(13)15)10-7-8-1-3-9(10)4-2-8/h1,3,8-10H,2,4-7H2/t8-,9+,10-/m0/s1
InChI Key:
QMRIROGCUYDGCC-AEJSXWLSSA-N
SMILES:
O=C1OCCN1C(=O)[C@H]1C[C@@H]2CC[C@H]1C=C2
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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