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Home > Other Heterocycles > 866151-63-5
866151-63-5 | 3-(3-oxo-3-phenylpropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CAS No: 866151-63-5 Catalog No: AG00IX0U MDL No:MFCD05669223
Product Description
Catalog Number:
AG00IX0U
Chemical Name:
3-(3-oxo-3-phenylpropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CAS Number:
866151-63-5
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
MDL Number:
MFCD05669223
IUPAC Name:
3-(3-oxo-3-phenylpropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
InChI:
InChI=1S/C14H13NO3/c16-12(9-4-2-1-3-5-9)6-7-15-13(17)10-8-11(10)14(15)18/h1-5,10-11H,6-8H2
InChI Key:
WGXNVVAELKLOLK-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CCN1C(=O)C2C(C1=O)C2
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.262g/mol
Monoisotopic Mass:
243.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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