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21426-37-9 | Dispiro[2.0.2.2]octane
CAS No: 21426-37-9 Catalog No: AG0072DV MDL No:
Product Description
Catalog Number:
AG0072DV
Chemical Name:
Dispiro[2.0.2.2]octane
CAS Number:
21426-37-9
Molecular Formula:
C8H12
Molecular Weight:
108.1809
IUPAC Name:
dispiro[2.0.24.23]octane
InChI:
InChI=1S/C8H12/c1-2-7(1)5-6-8(7)3-4-8/h1-6H2
InChI Key:
KHCZAHBPHDGNJP-UHFFFAOYSA-N
SMILES:
C1CC21CCC12CC1
Properties
Complexity:
120
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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