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20699-47-2

20699-47-2 | Propanedinitrile, 2-[3-(methylphenylamino)-2-propen-1-ylidene]-

CAS No: 20699-47-2 Catalog No: AG002ISO MDL No:

Product Description

Catalog Number:
AG002ISO
Chemical Name:
Propanedinitrile, 2-[3-(methylphenylamino)-2-propen-1-ylidene]-
CAS Number:
20699-47-2
Molecular Formula:
C13H11N3
Molecular Weight:
209.2465
IUPAC Name:
2-[3-(N-methylanilino)prop-2-enylidene]propanedinitrile
InChI:
InChI=1S/C13H11N3/c1-16(13-7-3-2-4-8-13)9-5-6-12(10-14)11-15/h2-9H,1H3
InChI Key:
QQUSZXFQFAFNPO-UHFFFAOYSA-N
SMILES:
CN(c1ccccc1)C=CC=C(C#N)C#N

Properties

Complexity:
351  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.095g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.252g/mol
Monoisotopic Mass:
209.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.5  

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