Home Other Building Blocks 3-oxatricyclo[3.3.1.0,1,5]nonane-2,4-dione

3-oxatricyclo[3.3.1.0,1,5]nonane-2,4-dione

CAS No.:
2958-67-0
Catalog Number:
AG01EIRJ
Molecular Formula:
C8H8O3
Molecular Weight:
152.1473
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Product Description
Catalog Number:
AG01EIRJ
Chemical Name:
3-oxatricyclo[3.3.1.0,1,5]nonane-2,4-dione
CAS Number:
2958-67-0
Molecular Formula:
C8H8O3
Molecular Weight:
152.1473
MDL Number:
MFCD31667121
IUPAC Name:
3-oxatricyclo[3.3.1.01,5]nonane-2,4-dione
InChI:
InChI=1S/C8H8O3/c9-5-7-2-1-3-8(7,4-7)6(10)11-5/h1-4H2
InChI Key:
YZVPBMKQLHYKHR-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C23C1(CCC3)C2
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.047g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.149g/mol
Monoisotopic Mass:
152.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties