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183442-14-0 | 3-Cyclooctene-1-carbonitrile
CAS No: 183442-14-0 Catalog No: AG0027LJ MDL No:
Product Description
Catalog Number:
AG0027LJ
Chemical Name:
3-Cyclooctene-1-carbonitrile
CAS Number:
183442-14-0
Molecular Formula:
C9H13N
Molecular Weight:
135.2062
IUPAC Name:
cyclooct-3-ene-1-carbonitrile
InChI:
InChI=1S/C9H13N/c10-8-9-6-4-2-1-3-5-7-9/h2,4,9H,1,3,5-7H2
InChI Key:
UITXDFKVMVTTBU-UHFFFAOYSA-N
SMILES:
N#CC1CCCCC=CC1
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.105g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.21g/mol
Monoisotopic Mass:
135.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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