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1005-51-2 | Tricyclo[3.3.2.02,8]deca-3,6,9-triene
CAS No: 1005-51-2 Catalog No: AG00025K MDL No:MFCD09868050
Product Description
Catalog Number:
AG00025K
Chemical Name:
Tricyclo[3.3.2.02,8]deca-3,6,9-triene
CAS Number:
1005-51-2
Molecular Formula:
C10H10
Molecular Weight:
130.1864
MDL Number:
MFCD09868050
IUPAC Name:
tricyclo[3.3.2.02,8]deca-3,6,9-triene
InChI:
InChI=1S/C10H10/c1-4-8-9-5-2-7(1)3-6-10(8)9/h1-10H
InChI Key:
UKFBVTJTKMSPMI-UHFFFAOYSA-N
SMILES:
C1=CC2C3C2C=CC1C=C3
UNII:
ZQZ1X09E2B
NSC Number:
120527
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.078g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.19g/mol
Monoisotopic Mass:
130.078g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Structures in solutions from joint experimental-computational analysis: applications to cyclic molecules and studies of noncovalent interactions. | The journal of physical chemistry. A 20120126 |
| Aromaticity on the fly: cyclic transition state stabilization at finite temperature. | The journal of physical chemistry. A 20100121 |
| William von Eggers Doering's many research achievements during the first 65 years of his career in chemistry. | Accounts of chemical research 20090120 |
| How important is bishomoaromatic stabilization in determining the relative barrier heights for the degenerate Cope rearrangements of semibullvalene, barbaralane, bullvalene, and dihydrobullvalene? | The Journal of organic chemistry 20050401 |
| Bullvalene trisepoxide and its stereospecific rearrangement to 2,8,12-trioxahexacyclo[8.3.0.0(3,9)0(4,6)0(5,13)0(7,11)]tridecane: two new C3-symmetrical oligocycles with propeller chirality. | Chemistry (Weinheim an der Bergstrasse, Germany) 20050318 |
| Thiabowls: synthesis, molecular structure, and novel supramolecular architecture of trithia-[3]-peristylane. | Organic letters 20040513 |
| Bond-shift rearrangement in solid Li(3)P(7)(monoglyme)(3): a (31)P MAS NMR study. | Journal of magnetic resonance (San Diego, Calif. : 1997) 20011201 |
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