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Home > Other Heterocycles > 26132-66-1
26132-66-1 | Bicyclo[6.1.0]nona-2,4,6-triene, (1R,8S)-rel-
CAS No: 26132-66-1 Catalog No: AG002RT8 MDL No:
Product Description
Catalog Number:
AG002RT8
Chemical Name:
Bicyclo[6.1.0]nona-2,4,6-triene, (1R,8S)-rel-
CAS Number:
26132-66-1
Molecular Formula:
C9H10
Molecular Weight:
118.1757
IUPAC Name:
(1R,8S)-bicyclo[6.1.0]nona-2,4,6-triene
InChI:
InChI=1S/C9H10/c1-2-4-6-9-7-8(9)5-3-1/h1-6,8-9H,7H2/t8-,9+
InChI Key:
ZMCCSKLGOXNRGF-DTORHVGOSA-N
SMILES:
C1=CC=C[C@H]2[C@@H](C=C1)C2
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
118.078g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.179g/mol
Monoisotopic Mass:
118.078g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
2.9
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