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88347-41-5 | 2(3H)-Pyridinone, 6-phenyl-
CAS No: 88347-41-5 Catalog No: AG0047A5 MDL No:
Product Description
Catalog Number:
AG0047A5
Chemical Name:
2(3H)-Pyridinone, 6-phenyl-
CAS Number:
88347-41-5
Molecular Formula:
C11H9NO
Molecular Weight:
171.1953
IUPAC Name:
6-phenyl-3H-pyridin-2-one
InChI:
InChI=1S/C11H9NO/c13-11-8-4-7-10(12-11)9-5-2-1-3-6-9/h1-7H,8H2
InChI Key:
YBMRROPEVMKBSG-UHFFFAOYSA-N
SMILES:
O=C1CC=CC(=N1)c1ccccc1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.199g/mol
Monoisotopic Mass:
171.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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