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58644-56-7

58644-56-7 | 4-(ISOCYANOMETHYL)PYRIDINE

CAS No: 58644-56-7 Catalog No: AG00EB8I MDL No:MFCD02664554

Product Description

Catalog Number:
AG00EB8I
Chemical Name:
4-(ISOCYANOMETHYL)PYRIDINE
CAS Number:
58644-56-7
Molecular Formula:
C7H6N2
Molecular Weight:
118.1359
MDL Number:
MFCD02664554
IUPAC Name:
4-(isocyanomethyl)pyridine
InChI:
InChI=1S/C7H6N2/c1-8-6-7-2-4-9-5-3-7/h2-5H,6H2
InChI Key:
MCYOVNZPMYQFTF-UHFFFAOYSA-N
SMILES:
[C-]#[N+]Cc1ccncc1

Properties

Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.053g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.139g/mol
Monoisotopic Mass:
118.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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