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1016678-95-7 | 3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxymethyl]benzonitrile
CAS No: 1016678-95-7 Catalog No: AG01AETT MDL No:MFCD09806600
Product Description
Catalog Number:
AG01AETT
Chemical Name:
3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxymethyl]benzonitrile
CAS Number:
1016678-95-7
Molecular Formula:
C19H18N2O
Molecular Weight:
290.3590
MDL Number:
MFCD09806600
IUPAC Name:
3-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]methyl]benzonitrile
InChI:
InChI=1S/C19H18N2O/c20-13-15-2-1-3-16(12-15)14-22-19-6-4-17(5-7-19)18-8-10-21-11-9-18/h1-8,12,21H,9-11,14H2
InChI Key:
GQVQCFVGRIODHK-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)COc1ccc(cc1)C1=CCNCC1
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.366g/mol
Monoisotopic Mass:
290.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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