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34950-04-4 | 4-METHYLPHENYL 3-PYRIDYL KETONE)
CAS No: 34950-04-4 Catalog No: AG00D1UG MDL No:MFCD01532020
Product Description
Catalog Number:
AG00D1UG
Chemical Name:
4-METHYLPHENYL 3-PYRIDYL KETONE)
CAS Number:
34950-04-4
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
MDL Number:
MFCD01532020
IUPAC Name:
(4-methylphenyl)-pyridin-3-ylmethanone
InChI:
InChI=1S/C13H11NO/c1-10-4-6-11(7-5-10)13(15)12-3-2-8-14-9-12/h2-9H,1H3
InChI Key:
CXDYOXSPZUWEQX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)c1cccnc1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.237g/mol
Monoisotopic Mass:
197.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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