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2825-82-3 | (3aR,4S,7R,7aS);-rel-Octahydro-1H-4,7-methanoindene
CAS No: 2825-82-3 Catalog No: AG003BQS MDL No:MFCD01714931
Product Description
Catalog Number:
AG003BQS
Chemical Name:
(3aR,4S,7R,7aS);-rel-Octahydro-1H-4,7-methanoindene
CAS Number:
2825-82-3
Molecular Formula:
C10H16
Molecular Weight:
136.2340
MDL Number:
MFCD01714931
IUPAC Name:
(1R,2S,6R,7S)-tricyclo[5.2.1.02,6]decane
InChI:
InChI=1S/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2/t7-,8+,9+,10-
InChI Key:
LPSXSORODABQKT-FIRGSJFUSA-N
SMILES:
C1C[C@@H]2[C@H](C1)[C@@H]1C[C@H]2CC1
EC Number:
220-585-8
UNII:
1Z2JUO569N
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
136.125g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.238g/mol
Monoisotopic Mass:
136.125g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Thermochemical properties of exo-tricyclo[5.2.1.0(2,6)]decane (JP-10 jet fuel) and derived tricyclodecyl radicals. | The journal of physical chemistry. A 20100909 |
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