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249277-70-1 | 2,5-Pyrrolidinedione, 1-[4-(acetyloxy)phenyl]-
CAS No: 249277-70-1 Catalog No: AG002PW8 MDL No:
Product Description
Catalog Number:
AG002PW8
Chemical Name:
2,5-Pyrrolidinedione, 1-[4-(acetyloxy)phenyl]-
CAS Number:
249277-70-1
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
IUPAC Name:
[4-(2,5-dioxopyrrolidin-1-yl)phenyl] acetate
InChI:
InChI=1S/C12H11NO4/c1-8(14)17-10-4-2-9(3-5-10)13-11(15)6-7-12(13)16/h2-5H,6-7H2,1H3
InChI Key:
JDXLEIIPVDNEHV-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1)N1C(=O)CCC1=O
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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