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102696-21-9 | Butanedioic acid, 1-(2,5-dioxo-1-pyrrolidinyl) ester
CAS No: 102696-21-9 Catalog No: AG00085E MDL No:
Product Description
Catalog Number:
AG00085E
Chemical Name:
Butanedioic acid, 1-(2,5-dioxo-1-pyrrolidinyl) ester
CAS Number:
102696-21-9
Molecular Formula:
C8H8NO6-
Molecular Weight:
214.1522
IUPAC Name:
4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoic acid
InChI:
InChI=1S/C8H9NO6/c10-5-1-2-6(11)9(5)15-8(14)4-3-7(12)13/h1-4H2,(H,12,13)
InChI Key:
QXZGLTYKKZKGLN-UHFFFAOYSA-N
SMILES:
[O-]C(=O)CCC(=O)ON1C(=O)CCC1=O
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.161g/mol
Monoisotopic Mass:
215.043g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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