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114289-96-2 | 1,3-Isobenzofurandione, 4,5-bis(dimethylamino)-
CAS No: 114289-96-2 Catalog No: AG000AZG MDL No:
Product Description
Catalog Number:
AG000AZG
Chemical Name:
1,3-Isobenzofurandione, 4,5-bis(dimethylamino)-
CAS Number:
114289-96-2
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
IUPAC Name:
4,5-bis(dimethylamino)-2-benzofuran-1,3-dione
InChI:
InChI=1S/C12H14N2O3/c1-13(2)8-6-5-7-9(10(8)14(3)4)12(16)17-11(7)15/h5-6H,1-4H3
InChI Key:
OVDOTVCZXGAPQF-UHFFFAOYSA-N
SMILES:
CN(c1ccc2c(c1N(C)C)C(=O)OC2=O)C
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.255g/mol
Monoisotopic Mass:
234.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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