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Home > Other Heterocycles > 116377-11-8
116377-11-8 | Bicyclo[2.1.0]pentane, 2-methylene-
CAS No: 116377-11-8 Catalog No: AG000CCI MDL No:
Product Description
Catalog Number:
AG000CCI
Chemical Name:
Bicyclo[2.1.0]pentane, 2-methylene-
CAS Number:
116377-11-8
Molecular Formula:
C6H8
Molecular Weight:
80.1277
IUPAC Name:
hexa-1,2,5-triene
InChI:
InChI=1S/C6H8/c1-3-5-6-4-2/h3,6H,1-2,5H2
InChI Key:
KHQKGRVDIZQGHT-UHFFFAOYSA-N
SMILES:
C=C1CC2C1C2
Properties
Complexity:
74
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
80.063g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
80.13g/mol
Monoisotopic Mass:
80.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Thermal rearrangements of 1-ethynyl-2-methylcyclopropane: a computational study. | The journal of physical chemistry. A 20120329 |
| Theoretical study of thermal rearrangements of 1-hexen-5-yne, 1,2,5-hexatriene, and 2-methylenebicyclo[2.1.0]pentane. | The Journal of organic chemistry 20120302 |
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