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Home > Other Heterocycles > 145092-77-9
145092-77-9 | Bicyclo[2.2.1]heptane-2,5-dione, (1R,4R)-
CAS No: 145092-77-9 Catalog No: AG001KK4 MDL No:
Product Description
Catalog Number:
AG001KK4
Chemical Name:
Bicyclo[2.2.1]heptane-2,5-dione, (1R,4R)-
CAS Number:
145092-77-9
Molecular Formula:
C7H8O2
Molecular Weight:
124.1372
IUPAC Name:
(1R,4R)-bicyclo[2.2.1]heptane-2,5-dione
InChI:
InChI=1S/C7H8O2/c8-6-2-4-1-5(6)3-7(4)9/h4-5H,1-3H2/t4-,5-/m1/s1
InChI Key:
RVFBNLMXCXFOET-RFZPGFLSSA-N
SMILES:
O=C1C[C@H]2C[C@@H]1CC2=O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
124.052g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.139g/mol
Monoisotopic Mass:
124.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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