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Home > Other Heterocycles > 835632-84-3
835632-84-3 | 2-Pyrrolidinone, 1-[(1R,2S,5R)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-
CAS No: 835632-84-3 Catalog No: AG0057KG MDL No:
Product Description
Catalog Number:
AG0057KG
Chemical Name:
2-Pyrrolidinone, 1-[(1R,2S,5R)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-
CAS Number:
835632-84-3
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
IUPAC Name:
1-[(1R,2S,5R)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]pyrrolidin-2-one
InChI:
InChI=1S/C11H13NO3/c13-8-6-7-3-4-9(15-7)11(8)12-5-1-2-10(12)14/h3-4,7,9,11H,1-2,5-6H2/t7-,9+,11+/m0/s1
InChI Key:
IYQFLIQFLKCQFI-JVUFJMBOSA-N
SMILES:
O=C1C[C@@H]2C=C[C@H]([C@@H]1N1CCCC1=O)O2
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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