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102402-84-6 | 2,4-Pentanedione, 3-tricyclo[3.3.1.13,7]dec-1-yl-
CAS No: 102402-84-6 Catalog No: AG0007D2 MDL No:MFCD02258891
Product Description
Catalog Number:
AG0007D2
Chemical Name:
2,4-Pentanedione, 3-tricyclo[3.3.1.13,7]dec-1-yl-
CAS Number:
102402-84-6
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
MDL Number:
MFCD02258891
IUPAC Name:
3-(1-adamantyl)pentane-2,4-dione
InChI:
InChI=1S/C15H22O2/c1-9(16)14(10(2)17)15-6-11-3-12(7-15)5-13(4-11)8-15/h11-14H,3-8H2,1-2H3
InChI Key:
QYCOSPWVQKZONV-UHFFFAOYSA-N
SMILES:
CC(=O)C(C12CC3CC(C2)CC(C1)C3)C(=O)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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