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81816-92-4 | Pyridine, 3-ethyl-5-phenyl-
CAS No: 81816-92-4 Catalog No: AG0050CK MDL No:
Product Description
Catalog Number:
AG0050CK
Chemical Name:
Pyridine, 3-ethyl-5-phenyl-
CAS Number:
81816-92-4
Molecular Formula:
C13H13N
Molecular Weight:
183.2490
IUPAC Name:
3-ethyl-5-phenylpyridine
InChI:
InChI=1S/C13H13N/c1-2-11-8-13(10-14-9-11)12-6-4-3-5-7-12/h3-10H,2H2,1H3
InChI Key:
DRZOOYMYAOIBLD-UHFFFAOYSA-N
SMILES:
CCc1cncc(c1)c1ccccc1
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.254g/mol
Monoisotopic Mass:
183.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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