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Home > Other Heterocycles > 196488-91-2
196488-91-2 | rac-(1R,6S)-bicyclo[4.1.0]heptan-2-one, cis
CAS No: 196488-91-2 Catalog No: AG01C3NJ MDL No:MFCD29065870
Product Description
Catalog Number:
AG01C3NJ
Chemical Name:
rac-(1R,6S)-bicyclo[4.1.0]heptan-2-one, cis
CAS Number:
196488-91-2
Molecular Formula:
C7H10O
Molecular Weight:
110.1537
MDL Number:
MFCD29065870
IUPAC Name:
(1S,6R)-bicyclo[4.1.0]heptan-2-one
InChI:
InChI=1S/C7H10O/c8-7-3-1-2-5-4-6(5)7/h5-6H,1-4H2/t5-,6+/m1/s1
InChI Key:
CINFRRXNDRBHMD-RITPCOANSA-N
SMILES:
O=C1CCC[C@H]2[C@@H]1C2
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
110.073g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.156g/mol
Monoisotopic Mass:
110.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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