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19835-39-3 | 2-Propanone, 1-tricyclo[3.3.1.13,7]dec-1-yl-
CAS No: 19835-39-3 Catalog No: AG002BGM MDL No:
Product Description
Catalog Number:
AG002BGM
Chemical Name:
2-Propanone, 1-tricyclo[3.3.1.13,7]dec-1-yl-
CAS Number:
19835-39-3
Molecular Formula:
C13H20O
Molecular Weight:
192.2973
IUPAC Name:
1-(1-adamantyl)propan-2-one
InChI:
InChI=1S/C13H20O/c1-9(14)5-13-6-10-2-11(7-13)4-12(3-10)8-13/h10-12H,2-8H2,1H3
InChI Key:
AIDPAFBRBBMNEH-UHFFFAOYSA-N
SMILES:
CC(=O)CC12CC3CC(C2)CC(C1)C3
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.151g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.302g/mol
Monoisotopic Mass:
192.151g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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