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113721-87-2 | 2H-1-Benzopyran-3-acetic acid, 7-amino-4-methyl-2-oxo-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 113721-87-2 Catalog No: AG0009GC MDL No:
Product Description
Catalog Number:
AG0009GC
Chemical Name:
2H-1-Benzopyran-3-acetic acid, 7-amino-4-methyl-2-oxo-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
113721-87-2
Molecular Formula:
C16H14N2O6
Molecular Weight:
330.2922
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 2-(7-amino-4-methyl-2-oxochromen-3-yl)acetate
InChI:
InChI=1S/C16H14N2O6/c1-8-10-3-2-9(17)6-12(10)23-16(22)11(8)7-15(21)24-18-13(19)4-5-14(18)20/h2-3,6H,4-5,7,17H2,1H3
InChI Key:
ILKQVTIMOGNSAS-UHFFFAOYSA-N
SMILES:
O=C(Cc1c(=O)oc2c(c1C)ccc(c2)N)ON1C(=O)CCC1=O
Properties
Complexity:
625
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.085g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.296g/mol
Monoisotopic Mass:
330.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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