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Home > Aldehydes > 503544-95-4
503544-95-4 | 1-benzyl-1,2,3,6-tetrahydropyridine-4-carbaldehyde
CAS No: 503544-95-4 Catalog No: AG01BD4D MDL No:MFCD31629098
Product Description
Catalog Number:
AG01BD4D
Chemical Name:
1-benzyl-1,2,3,6-tetrahydropyridine-4-carbaldehyde
CAS Number:
503544-95-4
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
MDL Number:
MFCD31629098
IUPAC Name:
1-benzyl-3,6-dihydro-2H-pyridine-4-carbaldehyde
InChI:
InChI=1S/C13H15NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h1-6,11H,7-10H2
InChI Key:
VQMWEQIVPYSFPO-UHFFFAOYSA-N
SMILES:
O=CC1=CCN(CC1)Cc1ccccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.269g/mol
Monoisotopic Mass:
201.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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