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84952-88-5 | 4-(2-Isocyanoethyl)pyridine
CAS No: 84952-88-5 Catalog No: AG00IDHG MDL No:MFCD07389714
Product Description
Catalog Number:
AG00IDHG
Chemical Name:
4-(2-Isocyanoethyl)pyridine
CAS Number:
84952-88-5
Molecular Formula:
C8H8N2
Molecular Weight:
132.1625
MDL Number:
MFCD07389714
IUPAC Name:
4-(2-isocyanoethyl)pyridine
InChI:
InChI=1S/C8H8N2/c1-9-5-2-8-3-6-10-7-4-8/h3-4,6-7H,2,5H2
InChI Key:
LLCQRIRRVWECJJ-UHFFFAOYSA-N
SMILES:
[C-]#[N+]CCc1ccncc1
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.069g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.166g/mol
Monoisotopic Mass:
132.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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