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Home > Other Heterocycles > 821771-26-0
821771-26-0 | Bicyclo[3.1.0]hexane, 1,4-bis(1-methylethyl)-
CAS No: 821771-26-0 Catalog No: AG0058A4 MDL No:
Product Description
Catalog Number:
AG0058A4
Chemical Name:
Bicyclo[3.1.0]hexane, 1,4-bis(1-methylethyl)-
CAS Number:
821771-26-0
Molecular Formula:
C12H22
Molecular Weight:
166.3031
IUPAC Name:
1,4-di(propan-2-yl)bicyclo[3.1.0]hexane
InChI:
InChI=1S/C12H22/c1-8(2)10-5-6-12(9(3)4)7-11(10)12/h8-11H,5-7H2,1-4H3
InChI Key:
XXOSTWOXLJFWBE-UHFFFAOYSA-N
SMILES:
CC(C1CCC2(C1C2)C(C)C)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.172g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.308g/mol
Monoisotopic Mass:
166.172g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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