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Home > Other Heterocycles > 88640-74-8
88640-74-8 | 2-Pentanone, 5-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-3-methyl-
CAS No: 88640-74-8 Catalog No: AG004A9N MDL No:
Product Description
Catalog Number:
AG004A9N
Chemical Name:
2-Pentanone, 5-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-3-methyl-
CAS Number:
88640-74-8
Molecular Formula:
C15H26O
Molecular Weight:
222.3663
IUPAC Name:
5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-methylpentan-2-one
InChI:
InChI=1S/C15H26O/c1-10(11(2)16)5-8-14-12-6-7-13(9-12)15(14,3)4/h10,12-14H,5-9H2,1-4H3
InChI Key:
XJUGSPPKYPCAPC-UHFFFAOYSA-N
SMILES:
CC(=O)C(CCC1C2CCC(C1(C)C)C2)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.198g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.372g/mol
Monoisotopic Mass:
222.198g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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