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265-49-6 | Benzocyclooctene
CAS No: 265-49-6 Catalog No: AG002TH9 MDL No:
Product Description
Catalog Number:
AG002TH9
Chemical Name:
Benzocyclooctene
CAS Number:
265-49-6
Molecular Formula:
C12H10
Molecular Weight:
154.2078
IUPAC Name:
benzo[8]annulene
InChI:
InChI=1S/C12H10/c1-2-4-8-12-10-6-5-9-11(12)7-3-1/h1-10H
InChI Key:
LSNYJLGMVHJXPD-UHFFFAOYSA-N
SMILES:
C1=Cc2ccccc2C=CC=C1
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.078g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.212g/mol
Monoisotopic Mass:
154.078g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
4
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| From mechanism to mouse: a tale of two bioorthogonal reactions. | Accounts of chemical research 20110920 |
| Difluorobenzocyclooctyne: synthesis, reactivity, and stabilization by beta-cyclodextrin. | Journal of the American Chemical Society 20100825 |
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