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88940-62-9 | 5-Hexynenitrile, 6-(3-pyridinyl)-
CAS No: 88940-62-9 Catalog No: AG0047ZL MDL No:
Product Description
Catalog Number:
AG0047ZL
Chemical Name:
5-Hexynenitrile, 6-(3-pyridinyl)-
CAS Number:
88940-62-9
Molecular Formula:
C11H10N2
Molecular Weight:
170.2105
IUPAC Name:
6-pyridin-3-ylhex-5-ynenitrile
InChI:
InChI=1S/C11H10N2/c12-8-4-2-1-3-6-11-7-5-9-13-10-11/h5,7,9-10H,1-2,4H2
InChI Key:
VWMHGNWGUWDADD-UHFFFAOYSA-N
SMILES:
N#CCCCC#Cc1cccnc1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.215g/mol
Monoisotopic Mass:
170.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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