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42374-46-9

42374-46-9 | 3-(2,5-Dimethylbenzoyl)pyridine

CAS No: 42374-46-9 Catalog No: AG01EVX2 MDL No:

Product Description

Catalog Number:
AG01EVX2
Chemical Name:
3-(2,5-Dimethylbenzoyl)pyridine
CAS Number:
42374-46-9
Molecular Formula:
C14H13NO
Molecular Weight:
211.2591
IUPAC Name:
(2,5-dimethylphenyl)-pyridin-3-ylmethanone
InChI:
InChI=1S/C14H13NO/c1-10-5-6-11(2)13(8-10)14(16)12-4-3-7-15-9-12/h3-9H,1-2H3
InChI Key:
WJWWJSUSISGRGG-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(=O)c1cccnc1)C

Properties

Complexity:
251  
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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