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Home > Other Heterocycles > 21813-31-0
21813-31-0 | (1S,6R)-bicyclo[4.2.0]octan-2-one
CAS No: 21813-31-0 Catalog No: AG01DQMO MDL No:
Product Description
Catalog Number:
AG01DQMO
Chemical Name:
(1S,6R)-bicyclo[4.2.0]octan-2-one
CAS Number:
21813-31-0
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
(1S,6S)-bicyclo[4.2.0]octan-2-one
InChI:
InChI=1S/C8H12O/c9-8-3-1-2-6-4-5-7(6)8/h6-7H,1-5H2/t6-,7-/m0/s1
InChI Key:
WSJNSKQKFMRZBN-BQBZGAKWSA-N
SMILES:
O=C1CCC[C@H]2[C@@H]1CC2
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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