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128746-57-6 | Octanedioic acid, 1-(2,5-dioxo-1-pyrrolidinyl) ester
CAS No: 128746-57-6 Catalog No: AG000YD5 MDL No:
Product Description
Catalog Number:
AG000YD5
Chemical Name:
Octanedioic acid, 1-(2,5-dioxo-1-pyrrolidinyl) ester
CAS Number:
128746-57-6
Molecular Formula:
C12H16NO6-
Molecular Weight:
270.2585
IUPAC Name:
8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctanoic acid
InChI:
InChI=1S/C12H17NO6/c14-9-7-8-10(15)13(9)19-12(18)6-4-2-1-3-5-11(16)17/h1-8H2,(H,16,17)
InChI Key:
NVWKYNBWYYJZTK-UHFFFAOYSA-N
SMILES:
[O-]C(=O)CCCCCCC(=O)ON1C(=O)CCC1=O
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.269g/mol
Monoisotopic Mass:
271.106g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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