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Home > Other Heterocycles > 72447-89-3
72447-89-3 | Bicyclo[2.1.0]pentane, 5-(1-methylethylidene)-
CAS No: 72447-89-3 Catalog No: AG006613 MDL No:
Product Description
Catalog Number:
AG006613
Chemical Name:
Bicyclo[2.1.0]pentane, 5-(1-methylethylidene)-
CAS Number:
72447-89-3
Molecular Formula:
C8H12
Molecular Weight:
108.1809
IUPAC Name:
5-propan-2-ylidenebicyclo[2.1.0]pentane
InChI:
InChI=1S/C8H12/c1-5(2)8-6-3-4-7(6)8/h6-7H,3-4H2,1-2H3
InChI Key:
GJKFZQSVMNMCSB-UHFFFAOYSA-N
SMILES:
CC(=C1C2C1CC2)C
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.094g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.184g/mol
Monoisotopic Mass:
108.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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