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71202-98-7 | 1,2,4,6,8-Cyclononapentaene
CAS No: 71202-98-7 Catalog No: AG005KCK MDL No:
Product Description
Catalog Number:
AG005KCK
Chemical Name:
1,2,4,6,8-Cyclononapentaene
CAS Number:
71202-98-7
Molecular Formula:
C9H8
Molecular Weight:
116.1598
IUPAC Name:
cyclonona-1,2,4,6,8-pentaene
InChI:
InChI=1S/C9H8/c1-2-4-6-8-9-7-5-3-1/h1-8H
InChI Key:
TYIKWUBPQLEGLE-UHFFFAOYSA-N
SMILES:
C1=CC=C=CC=CC=C1
Properties
Complexity:
183
Compound Is Canonicalized:
No
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:
3
XLogP3:
2.8
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