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Home > Other Heterocycles > 19740-90-0
19740-90-0 | 9-Oxabicyclo[6.1.0]non-4-ene, (1R,8S)-rel-
CAS No: 19740-90-0 Catalog No: AG000ECW MDL No:
Product Description
Catalog Number:
AG000ECW
Chemical Name:
9-Oxabicyclo[6.1.0]non-4-ene, (1R,8S)-rel-
CAS Number:
19740-90-0
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
(1S,4Z,8R)-9-oxabicyclo[6.1.0]non-4-ene
InChI:
InChI=1S/C8H12O/c1-2-4-6-8-7(9-8)5-3-1/h1-2,7-8H,3-6H2/b2-1-/t7-,8+
InChI Key:
YWFPXWMSGJXUFS-VMPVEFHESA-N
SMILES:
C1=CCC[C@H]2[C@@H](CC1)O2
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
1
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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