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Home > Pyridines > 138823-82-2
138823-82-2 | Ethanone, 1-[4-(phenylmethyl)-3-pyridinyl]-
CAS No: 138823-82-2 Catalog No: AG0019N2 MDL No:
Product Description
Catalog Number:
AG0019N2
Chemical Name:
Ethanone, 1-[4-(phenylmethyl)-3-pyridinyl]-
CAS Number:
138823-82-2
Molecular Formula:
C14H13NO
Molecular Weight:
211.2591
IUPAC Name:
1-(4-benzylpyridin-3-yl)ethanone
InChI:
InChI=1S/C14H13NO/c1-11(16)14-10-15-8-7-13(14)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3
InChI Key:
QOTRTSANNXRARO-UHFFFAOYSA-N
SMILES:
CC(=O)c1cnccc1Cc1ccccc1
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.264g/mol
Monoisotopic Mass:
211.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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