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122756-99-4 | Cyclooctanone, 5-(2,4-cyclopentadien-1-ylidene)-
CAS No: 122756-99-4 Catalog No: AG000JAT MDL No:
Product Description
Catalog Number:
AG000JAT
Chemical Name:
Cyclooctanone, 5-(2,4-cyclopentadien-1-ylidene)-
CAS Number:
122756-99-4
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
5-cyclopenta-2,4-dien-1-ylidenecyclooctan-1-one
InChI:
InChI=1S/C13H16O/c14-13-9-3-7-12(8-4-10-13)11-5-1-2-6-11/h1-2,5-6H,3-4,7-10H2
InChI Key:
PGDCGPFLDOVMGD-UHFFFAOYSA-N
SMILES:
O=C1CCCC(=C2C=CC=C2)CCC1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.27g/mol
Monoisotopic Mass:
188.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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