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Home > Other Heterocycles > 147514-86-1
147514-86-1 | Bicyclo[3.3.1]nonane-2,9-dione, (1R,5S)-
CAS No: 147514-86-1 Catalog No: AG001EYH MDL No:
Product Description
Catalog Number:
AG001EYH
Chemical Name:
Bicyclo[3.3.1]nonane-2,9-dione, (1R,5S)-
CAS Number:
147514-86-1
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
IUPAC Name:
(1R,5S)-bicyclo[3.3.1]nonane-2,9-dione
InChI:
InChI=1S/C9H12O2/c10-8-5-4-6-2-1-3-7(8)9(6)11/h6-7H,1-5H2/t6-,7+/m0/s1
InChI Key:
HHJBRQQDFSXZIX-NKWVEPMBSA-N
SMILES:
O=C1CC[C@H]2C(=O)[C@@H]1CCC2
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Synthesis, chiroptical properties and absolute configuration of spiro[1,3-benzodioxole-methanocyclooct[b]indole]. | Organic & biomolecular chemistry 20030121 |
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