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Home > Other Heterocycles > 54131-39-4
54131-39-4 | 1-(7,7-DIMETHYLBICYCLO[2.2.1]HEPTAN-1-YL)ETHAN-1-ONE
CAS No: 54131-39-4 Catalog No: AG01E724 MDL No:MFCD24701233
Product Description
Catalog Number:
AG01E724
Chemical Name:
1-(7,7-DIMETHYLBICYCLO[2.2.1]HEPTAN-1-YL)ETHAN-1-ONE
CAS Number:
54131-39-4
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
MDL Number:
MFCD24701233
IUPAC Name:
1-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)ethanone
InChI:
InChI=1S/C11H18O/c1-8(12)11-6-4-9(5-7-11)10(11,2)3/h9H,4-7H2,1-3H3
InChI Key:
RMUQOFAOACJUPJ-UHFFFAOYSA-N
SMILES:
CC(=O)C12CCC(C2(C)C)CC1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.264g/mol
Monoisotopic Mass:
166.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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