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Home > Other Heterocycles > 4462-97-9
4462-97-9 | 3-Oxabicyclo[3.1.1]heptane-2,4-dione
CAS No: 4462-97-9 Catalog No: AG0071I7 MDL No:MFCD09867308
Product Description
Catalog Number:
AG0071I7
Chemical Name:
3-Oxabicyclo[3.1.1]heptane-2,4-dione
CAS Number:
4462-97-9
Molecular Formula:
C6H6O3
Molecular Weight:
126.1100
MDL Number:
MFCD09867308
IUPAC Name:
3-oxabicyclo[3.1.1]heptane-2,4-dione
InChI:
InChI=1S/C6H6O3/c7-5-3-1-4(2-3)6(8)9-5/h3-4H,1-2H2
InChI Key:
FUOFSQHOEZYEDA-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C2CC1C2
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.032g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.111g/mol
Monoisotopic Mass:
126.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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