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Home > Other Heterocycles > 944443-33-8
944443-33-8 | (2Z)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
CAS No: 944443-33-8 Catalog No: AG00IYMU MDL No:MFCD01545849
Product Description
Catalog Number:
AG00IYMU
Chemical Name:
(2Z)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
CAS Number:
944443-33-8
Molecular Formula:
C15H15NO3
Molecular Weight:
257.2845
MDL Number:
MFCD01545849
IUPAC Name:
2-(1,3-benzodioxol-5-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one
InChI:
InChI=1S/C15H15NO3/c17-15-11-3-5-16(6-4-11)12(15)7-10-1-2-13-14(8-10)19-9-18-13/h1-2,7-8,11H,3-6,9H2
InChI Key:
NGNUATHUAAONSD-UHFFFAOYSA-N
SMILES:
O=C1C2CCN(/C/1=C\c1ccc3c(c1)OCO3)CC2
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.289g/mol
Monoisotopic Mass:
257.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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