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Home > Other Building Blocks > 86319-72-4
86319-72-4 | 1,3-Benzodioxole-4,7-dione
CAS No: 86319-72-4 Catalog No: AG004JEO MDL No:
Product Description
Catalog Number:
AG004JEO
Chemical Name:
1,3-Benzodioxole-4,7-dione
CAS Number:
86319-72-4
Molecular Formula:
C7H4O4
Molecular Weight:
152.1043
IUPAC Name:
1,3-benzodioxole-4,7-dione
InChI:
InChI=1S/C7H4O4/c8-4-1-2-5(9)7-6(4)10-3-11-7/h1-2H,3H2
InChI Key:
GPUOEYYRNOTMES-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)C2=C1OCO2
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.011g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.105g/mol
Monoisotopic Mass:
152.011g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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