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115227-59-3 | 3-Cyclononene-1,5-diyne, (3Z)-
CAS No: 115227-59-3 Catalog No: AG000GGW MDL No:
Product Description
Catalog Number:
AG000GGW
Chemical Name:
3-Cyclononene-1,5-diyne, (3Z)-
CAS Number:
115227-59-3
Molecular Formula:
C9H8
Molecular Weight:
116.1598
IUPAC Name:
cyclonon-3-en-1,5-diyne
InChI:
InChI=1S/C9H8/c1-2-4-6-8-9-7-5-3-1/h1-2H,7-9H2
InChI Key:
QNRBXHBCGFJMRA-UHFFFAOYSA-N
SMILES:
C1CC#C/C=C\C#CC1
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.163g/mol
Monoisotopic Mass:
116.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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