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13059-78-4

13059-78-4 | 4-Pyridinecarboxylic acid, 2-(3,7-dimethyl-2,6-octadien-1-ylidene)hydrazide

CAS No: 13059-78-4 Catalog No: AG000UOS MDL No:

Product Description

Catalog Number:
AG000UOS
Chemical Name:
4-Pyridinecarboxylic acid, 2-(3,7-dimethyl-2,6-octadien-1-ylidene)hydrazide
CAS Number:
13059-78-4
Molecular Formula:
C16H21N3O
Molecular Weight:
271.3574
IUPAC Name:
N-(3,7-dimethylocta-2,6-dienylideneamino)pyridine-4-carboxamide
InChI:
InChI=1S/C16H21N3O/c1-13(2)5-4-6-14(3)7-12-18-19-16(20)15-8-10-17-11-9-15/h5,7-12H,4,6H2,1-3H3,(H,19,20)
InChI Key:
VUWWQNVEGHTKMH-UHFFFAOYSA-N
SMILES:
CC(=CC=NNC(=O)c1ccncc1)CCC=C(C)C

Properties

Complexity:
387  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.168g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
271.364g/mol
Monoisotopic Mass:
271.168g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2  
XLogP3:
3.4  

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