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Home > Other Heterocycles > 94516-89-9
94516-89-9 | Bicyclo[4.1.0]hepta-2,4-diene, 2,4-bis(1,1-dimethylethyl)-
CAS No: 94516-89-9 Catalog No: AG00H6C5 MDL No:
Product Description
Catalog Number:
AG00H6C5
Chemical Name:
Bicyclo[4.1.0]hepta-2,4-diene, 2,4-bis(1,1-dimethylethyl)-
CAS Number:
94516-89-9
Molecular Formula:
C15H24
Molecular Weight:
204.3511
IUPAC Name:
2,4-ditert-butylbicyclo[4.1.0]hepta-2,4-diene
InChI:
InChI=1S/C15H24/c1-14(2,3)11-7-10-8-12(10)13(9-11)15(4,5)6/h7,9-10,12H,8H2,1-6H3
InChI Key:
XUCSRGUMKVPMRT-UHFFFAOYSA-N
SMILES:
CC(C1=CC2CC2C(=C1)C(C)(C)C)(C)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.188g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.357g/mol
Monoisotopic Mass:
204.188g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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