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1567-56-2 | 1,3-Isobenzofurandione, 4,5-dimethoxy-
CAS No: 1567-56-2 Catalog No: AG001OWV MDL No:
Product Description
Catalog Number:
AG001OWV
Chemical Name:
1,3-Isobenzofurandione, 4,5-dimethoxy-
CAS Number:
1567-56-2
Molecular Formula:
C10H8O5
Molecular Weight:
208.1675
IUPAC Name:
4,5-dimethoxy-2-benzofuran-1,3-dione
InChI:
InChI=1S/C10H8O5/c1-13-6-4-3-5-7(8(6)14-2)10(12)15-9(5)11/h3-4H,1-2H3
InChI Key:
FPYMWUSMIRXSEA-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1OC)C(=O)OC2=O
NSC Number:
11829
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.037g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.169g/mol
Monoisotopic Mass:
208.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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