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Home > Other Heterocycles > 17994-26-2
17994-26-2 | Bicyclo[2.2.1]hept-5-ene-2,3-dione
CAS No: 17994-26-2 Catalog No: AG0021H2 MDL No:
Product Description
Catalog Number:
AG0021H2
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2,3-dione
CAS Number:
17994-26-2
Molecular Formula:
C7H6O2
Molecular Weight:
122.1213
IUPAC Name:
bicyclo[2.2.1]hept-5-ene-2,3-dione
InChI:
InChI=1S/C7H6O2/c8-6-4-1-2-5(3-4)7(6)9/h1-2,4-5H,3H2
InChI Key:
BOFDMSONIJMXOQ-UHFFFAOYSA-N
SMILES:
O=C1C2C=CC(C1=O)C2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.037g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.123g/mol
Monoisotopic Mass:
122.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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