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16536-36-0 | 1,4-Benzodioxin-2,3-dione
CAS No: 16536-36-0 Catalog No: AG001W3M MDL No:
Product Description
Catalog Number:
AG001W3M
Chemical Name:
1,4-Benzodioxin-2,3-dione
CAS Number:
16536-36-0
Molecular Formula:
C8H4O4
Molecular Weight:
164.1150
IUPAC Name:
1,4-benzodioxine-2,3-dione
InChI:
InChI=1S/C8H4O4/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H
InChI Key:
RFECNLMBVTZYCH-UHFFFAOYSA-N
SMILES:
O=c1oc2ccccc2oc1=O
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.011g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.116g/mol
Monoisotopic Mass:
164.011g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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