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14597-12-7 | 1,3-Isobenzofurandione, 4,7-dimethoxy-
CAS No: 14597-12-7 Catalog No: AG001DL0 MDL No:
Product Description
Catalog Number:
AG001DL0
Chemical Name:
1,3-Isobenzofurandione, 4,7-dimethoxy-
CAS Number:
14597-12-7
Molecular Formula:
C10H8O5
Molecular Weight:
208.1675
IUPAC Name:
4,7-dimethoxy-2-benzofuran-1,3-dione
InChI:
InChI=1S/C10H8O5/c1-13-5-3-4-6(14-2)8-7(5)9(11)15-10(8)12/h3-4H,1-2H3
InChI Key:
LRJYRDODMNDLFR-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1C(=O)OC2=O)OC
Properties
Complexity:
260
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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