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Home > Other Heterocycles > 114129-32-7
114129-32-7 | Bicyclo[3.3.1]nonane-2,6-dione, 3,3,7,7-tetramethyl-, (1R)- (9CI)
CAS No: 114129-32-7 Catalog No: AG000AMZ MDL No:
Product Description
Catalog Number:
AG000AMZ
Chemical Name:
Bicyclo[3.3.1]nonane-2,6-dione, 3,3,7,7-tetramethyl-, (1R)- (9CI)
CAS Number:
114129-32-7
Molecular Formula:
C13H20O2
Molecular Weight:
208.2967
IUPAC Name:
3,3,7,7-tetramethylbicyclo[3.3.1]nonane-2,6-dione
InChI:
InChI=1S/C13H20O2/c1-12(2)6-8-5-9(10(12)14)7-13(3,4)11(8)15/h8-9H,5-7H2,1-4H3
InChI Key:
TZEDBMOSQPTRPQ-UHFFFAOYSA-N
SMILES:
O=C1C2C[C@H](CC1(C)C)C(=O)C(C2)(C)C
NSC Number:
632222
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.146g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.301g/mol
Monoisotopic Mass:
208.146g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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