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Home > Other Heterocycles > 866138-55-8
866138-55-8 | (2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
CAS No: 866138-55-8 Catalog No: AG00IZ1O MDL No:MFCD05256362
Product Description
Catalog Number:
AG00IZ1O
Chemical Name:
(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
CAS Number:
866138-55-8
Molecular Formula:
C16H21NO3
Molecular Weight:
275.3428
MDL Number:
MFCD05256362
IUPAC Name:
2-[(2,5-dimethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
InChI:
InChI=1S/C16H21NO3/c1-19-13-3-4-15(20-2)12(9-13)10-14-16(18)11-5-7-17(14)8-6-11/h3-4,9-11,16,18H,5-8H2,1-2H3
InChI Key:
DKVIIGLIDAFWEJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1/C=C/1\N2CCC(C1O)CC2)OC
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.348g/mol
Monoisotopic Mass:
275.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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