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Home > Other Heterocycles > 81640-31-5
81640-31-5 | Bicyclo[3.1.0]hexane-2,3,4-trione
CAS No: 81640-31-5 Catalog No: AG00584X MDL No:MFCD24738417
Product Description
Catalog Number:
AG00584X
Chemical Name:
Bicyclo[3.1.0]hexane-2,3,4-trione
CAS Number:
81640-31-5
Molecular Formula:
C6H4O3
Molecular Weight:
124.0942
MDL Number:
MFCD24738417
IUPAC Name:
bicyclo[3.1.0]hexane-2,3,4-trione
InChI:
InChI=1S/C6H4O3/c7-4-2-1-3(2)5(8)6(4)9/h2-3H,1H2
InChI Key:
ZAZNXZKIQIQBDX-UHFFFAOYSA-N
SMILES:
O=C1C(=O)C2C(C1=O)C2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.016g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.095g/mol
Monoisotopic Mass:
124.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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