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51281-61-9 | 1,2,3,6-tetrahydropyridine-4-carbonitrile
CAS No: 51281-61-9 Catalog No: AG01AEOV MDL No:MFCD19221217
Product Description
Catalog Number:
AG01AEOV
Chemical Name:
1,2,3,6-tetrahydropyridine-4-carbonitrile
CAS Number:
51281-61-9
Molecular Formula:
C6H8N2
Molecular Weight:
108.1411
MDL Number:
MFCD19221217
IUPAC Name:
1,2,3,6-tetrahydropyridine-4-carbonitrile
InChI:
InChI=1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1,8H,2-4H2
InChI Key:
HZGSRKZQSUIURW-UHFFFAOYSA-N
SMILES:
N#CC1=CCNCC1
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.069g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
108.144g/mol
Monoisotopic Mass:
108.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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