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116920-04-8 | Pentanedioic acid, 1-(2,5-dioxo-1-pyrrolidinyl) ester
CAS No: 116920-04-8 Catalog No: AG000DDL MDL No:
Product Description
Catalog Number:
AG000DDL
Chemical Name:
Pentanedioic acid, 1-(2,5-dioxo-1-pyrrolidinyl) ester
CAS Number:
116920-04-8
Molecular Formula:
C9H10NO6-
Molecular Weight:
228.1788
IUPAC Name:
5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid
InChI:
InChI=1S/C9H11NO6/c11-6-4-5-7(12)10(6)16-9(15)3-1-2-8(13)14/h1-5H2,(H,13,14)
InChI Key:
NWAGXLBTAPTCPR-UHFFFAOYSA-N
SMILES:
[O-]C(=O)CCCC(=O)ON1C(=O)CCC1=O
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.188g/mol
Monoisotopic Mass:
229.059g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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