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86982-54-9 | 5-Octynenitrile, 8-hydroxy-
CAS No: 86982-54-9 Catalog No: AG004HDW MDL No:
Product Description
Catalog Number:
AG004HDW
Chemical Name:
5-Octynenitrile, 8-hydroxy-
CAS Number:
86982-54-9
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
IUPAC Name:
8-hydroxyoct-5-ynenitrile
InChI:
InChI=1S/C8H11NO/c9-7-5-3-1-2-4-6-8-10/h10H,1,3,5-6,8H2
InChI Key:
DYUJXKAMQXMQJB-UHFFFAOYSA-N
SMILES:
OCCC#CCCCC#N
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
137.182g/mol
Monoisotopic Mass:
137.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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