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868390-62-9 | (3,4-dimethylphenyl)(pyridin-4-yl)methanone
CAS No: 868390-62-9 Catalog No: AG01DJQ4 MDL No:
Product Description
Catalog Number:
AG01DJQ4
Chemical Name:
(3,4-dimethylphenyl)(pyridin-4-yl)methanone
CAS Number:
868390-62-9
Molecular Formula:
C14H13NO
Molecular Weight:
211.2591
IUPAC Name:
(3,4-dimethylphenyl)-pyridin-4-ylmethanone
InChI:
InChI=1S/C14H13NO/c1-10-3-4-13(9-11(10)2)14(16)12-5-7-15-8-6-12/h3-9H,1-2H3
InChI Key:
VSKRYFHKIGQHRM-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)C)C)c1ccncc1
Properties
Complexity:
245
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:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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