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Home > Other Heterocycles > 22287-30-5
22287-30-5 | 1-(BICYCLO[1.1.1]PENTAN-1-YL)PROPAN-1-ONE
CAS No: 22287-30-5 Catalog No: AG01EJT2 MDL No:MFCD24702170
Product Description
Catalog Number:
AG01EJT2
Chemical Name:
1-(BICYCLO[1.1.1]PENTAN-1-YL)PROPAN-1-ONE
CAS Number:
22287-30-5
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
MDL Number:
MFCD24702170
IUPAC Name:
1-(1-bicyclo[1.1.1]pentanyl)propan-1-one
InChI:
InChI=1S/C8H12O/c1-2-7(9)8-3-6(4-8)5-8/h6H,2-5H2,1H3
InChI Key:
CFNXTSMGZVQWGF-UHFFFAOYSA-N
SMILES:
CCC(=O)C12CC(C1)C2
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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