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Home > Other Heterocycles > 25237-86-9
25237-86-9 | Bicyclo[4.1.0]heptane-2,5-dione, 3,7,7-trimethyl-
CAS No: 25237-86-9 Catalog No: AG006WOJ MDL No:
Product Description
Catalog Number:
AG006WOJ
Chemical Name:
Bicyclo[4.1.0]heptane-2,5-dione, 3,7,7-trimethyl-
CAS Number:
25237-86-9
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
3,7,7-trimethylbicyclo[4.1.0]heptane-2,5-dione
InChI:
InChI=1S/C10H14O2/c1-5-4-6(11)7-8(9(5)12)10(7,2)3/h5,7-8H,4H2,1-3H3
InChI Key:
OINIRNUCDSJIRG-UHFFFAOYSA-N
SMILES:
CC1CC(=O)C2C(C1=O)C2(C)C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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