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88928-70-5 | Ethanone, 1-[1,4,5,6-tetrahydro-1-(phenylmethyl)-3-pyridinyl]-
CAS No: 88928-70-5 Catalog No: AG0048S9 MDL No:
Product Description
Catalog Number:
AG0048S9
Chemical Name:
Ethanone, 1-[1,4,5,6-tetrahydro-1-(phenylmethyl)-3-pyridinyl]-
CAS Number:
88928-70-5
Molecular Formula:
C14H17NO
Molecular Weight:
215.2909
IUPAC Name:
1-(1-benzyl-3,4-dihydro-2H-pyridin-5-yl)ethanone
InChI:
InChI=1S/C14H17NO/c1-12(16)14-8-5-9-15(11-14)10-13-6-3-2-4-7-13/h2-4,6-7,11H,5,8-10H2,1H3
InChI Key:
RZNVSBZNSFOQAZ-UHFFFAOYSA-N
SMILES:
CC(=O)C1=CN(CCC1)Cc1ccccc1
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.296g/mol
Monoisotopic Mass:
215.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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