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89680-11-5 | 1(3H)-Isobenzofuranone, 3-[(dimethylamino)methylene]-5,6-dimethoxy-
CAS No: 89680-11-5 Catalog No: AG0044I3 MDL No:
Product Description
Catalog Number:
AG0044I3
Chemical Name:
1(3H)-Isobenzofuranone, 3-[(dimethylamino)methylene]-5,6-dimethoxy-
CAS Number:
89680-11-5
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
IUPAC Name:
3-(dimethylaminomethylidene)-5,6-dimethoxy-2-benzofuran-1-one
InChI:
InChI=1S/C13H15NO4/c1-14(2)7-12-8-5-10(16-3)11(17-4)6-9(8)13(15)18-12/h5-7H,1-4H3
InChI Key:
FUEQXKNARFPHTD-UHFFFAOYSA-N
SMILES:
COc1cc2C(=CN(C)C)OC(=O)c2cc1OC
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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