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6687-82-7

6687-82-7 | [(3,4-Dihydroisoquinolin-2(1H)-yl)methylene]malononitrile

CAS No: 6687-82-7 Catalog No: AG00FP3L MDL No:

Product Description

Catalog Number:
AG00FP3L
Chemical Name:
[(3,4-Dihydroisoquinolin-2(1H)-yl)methylene]malononitrile
CAS Number:
6687-82-7
IUPAC Name:
2-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)propanedinitrile
InChI:
InChI=1S/C13H11N3/c14-7-11(8-15)9-16-6-5-12-3-1-2-4-13(12)10-16/h1-4,9H,5-6,10H2
InChI Key:
XWXNAUJZOYZIRK-UHFFFAOYSA-N
NSC Number:
85626

Properties

Complexity:
361  
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:
1  
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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