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264-08-4 | 5H-Benzocycloheptene
CAS No: 264-08-4 Catalog No: AG002T1Q MDL No:
Product Description
Catalog Number:
AG002T1Q
Chemical Name:
5H-Benzocycloheptene
CAS Number:
264-08-4
Molecular Formula:
C11H10
Molecular Weight:
142.1971
IUPAC Name:
9H-benzo[7]annulene
InChI:
InChI=1S/C11H10/c1-2-6-10-8-4-5-9-11(10)7-3-1/h1-6,8-9H,7H2
InChI Key:
XHVULKQHRQZNMW-UHFFFAOYSA-N
SMILES:
C1=CCc2c(C=C1)cccc2
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.078g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.201g/mol
Monoisotopic Mass:
142.078g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Access to the naphthylcarbene rearrangement manifold via isomeric benzodiazocycloheptatrienes. | The Journal of organic chemistry 20021213 |
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