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Home > Other Heterocycles > 85392-44-5
85392-44-5 | 1-(3,3-DIMETHYLBICYCLO[2.2.1]HEPT-2-YL)HEXANE-2,5-DIONE
CAS No: 85392-44-5 Catalog No: AG004TM7 MDL No:
Product Description
Catalog Number:
AG004TM7
Chemical Name:
1-(3,3-DIMETHYLBICYCLO[2.2.1]HEPT-2-YL)HEXANE-2,5-DIONE
CAS Number:
85392-44-5
Molecular Formula:
C15H24O2
Molecular Weight:
236.3499
IUPAC Name:
1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)hexane-2,5-dione
InChI:
InChI=1S/C15H24O2/c1-10(16)4-7-13(17)9-14-11-5-6-12(8-11)15(14,2)3/h11-12,14H,4-9H2,1-3H3
InChI Key:
KTFQCEQXARNYFB-UHFFFAOYSA-N
SMILES:
O=C(CC1C2CCC(C1(C)C)C2)CCC(=O)C
EC Number:
286-903-2
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.178g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.355g/mol
Monoisotopic Mass:
236.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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