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54313-85-8 | 3-Phenyl-1-(2-pyridyl)-1-propanone
CAS No: 54313-85-8 Catalog No: AG00E46X MDL No:MFCD12153272
Product Description
Catalog Number:
AG00E46X
Chemical Name:
3-Phenyl-1-(2-pyridyl)-1-propanone
CAS Number:
54313-85-8
Molecular Formula:
C14H13NO
Molecular Weight:
211.2591
MDL Number:
MFCD12153272
IUPAC Name:
3-phenyl-1-pyridin-2-ylpropan-1-one
InChI:
InChI=1S/C14H13NO/c16-14(13-8-4-5-11-15-13)10-9-12-6-2-1-3-7-12/h1-8,11H,9-10H2
InChI Key:
LAXVQHXHJNNNBM-UHFFFAOYSA-N
SMILES:
O=C(c1ccccn1)CCc1ccccc1
Properties
Complexity:
221
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:
4
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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