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250-39-5 | Cyclopentapyrazole (8CI,9CI)
CAS No: 250-39-5 Catalog No: AG002Q59 MDL No:
Product Description
Catalog Number:
AG002Q59
Chemical Name:
Cyclopentapyrazole (8CI,9CI)
CAS Number:
250-39-5
Molecular Formula:
C6H4N2
Molecular Weight:
104.1094
IUPAC Name:
cyclopenta[c]pyrazole
InChI:
InChI=1S/C6H4N2/c1-2-5-4-7-8-6(5)3-1/h1-4H
InChI Key:
PZAYJNNTMOGLPX-UHFFFAOYSA-N
SMILES:
C1=CC2=CN=NC2=C1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.037g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
104.112g/mol
Monoisotopic Mass:
104.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Stereocontrolled synthesis of functionalized cis-cyclopentapyrazolidines by 1,3-dipolar cycloaddition reactions of azomethine imines. | The Journal of organic chemistry 20061124 |
| Biradicals stabilized by intramolecular charge transfer: properties of heterosubstituted pentalene and cyclooctatetraene biradicals. | The journal of physical chemistry. A 20060713 |
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