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2746-63-6 | 1,3-Benzodioxole-5-carboxaldehyde,2-(2-pyridinyl)hydrazone
CAS No: 2746-63-6 Catalog No: AG007KO7 MDL No:
Product Description
Catalog Number:
AG007KO7
Chemical Name:
1,3-Benzodioxole-5-carboxaldehyde,2-(2-pyridinyl)hydrazone
CAS Number:
2746-63-6
Molecular Formula:
C13H11N3O2
Molecular Weight:
241.2453
IUPAC Name:
N-(1,3-benzodioxol-5-ylmethylideneamino)pyridin-2-amine
InChI:
InChI=1S/C13H11N3O2/c1-2-6-14-13(3-1)16-15-8-10-4-5-11-12(7-10)18-9-17-11/h1-8H,9H2,(H,14,16)
InChI Key:
JGOKTUVPDMRZOW-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)NN=Cc1ccc2c(c1)OCO2
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.25g/mol
Monoisotopic Mass:
241.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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