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139346-57-9 | 2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 139346-57-9 Catalog No: AG001AT3 MDL No:MFCD00467585
Product Description
Catalog Number:
AG001AT3
Chemical Name:
2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
139346-57-9
Molecular Formula:
C18H18N2O6
Molecular Weight:
358.3453
MDL Number:
MFCD00467585
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 7-(diethylamino)-2-oxochromene-3-carboxylate
InChI:
InChI=1S/C18H18N2O6/c1-3-19(4-2)12-6-5-11-9-13(17(23)25-14(11)10-12)18(24)26-20-15(21)7-8-16(20)22/h5-6,9-10H,3-4,7-8H2,1-2H3
InChI Key:
NUNPVRICKDZFLK-UHFFFAOYSA-N
SMILES:
CCN(c1ccc2c(c1)oc(=O)c(c2)C(=O)ON1C(=O)CCC1=O)CC
Properties
Complexity:
638
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.116g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.35g/mol
Monoisotopic Mass:
358.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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