200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 315244-82-7
315244-82-7 | (2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
CAS No: 315244-82-7 Catalog No: AG00IS0L MDL No:MFCD02728993
Product Description
Catalog Number:
AG00IS0L
Chemical Name:
(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
CAS Number:
315244-82-7
Molecular Formula:
C16H19NO3
Molecular Weight:
273.3270
MDL Number:
MFCD02728993
IUPAC Name:
2-[(2,5-dimethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
InChI:
InChI=1S/C16H19NO3/c1-19-13-3-4-15(20-2)12(9-13)10-14-16(18)11-5-7-17(14)8-6-11/h3-4,9-11H,5-8H2,1-2H3
InChI Key:
DCDDXBMYLSHGGN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1/C=C/1\N2CCC(C1=O)CC2)OC
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.136g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.332g/mol
Monoisotopic Mass:
273.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.