Cas no 7450-68-2 ((2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl acetate)
7450-68-2 structure
Product Name:(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl acetate
(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl acetate Chemical and Physical Properties
Names and Identifiers
-
- (2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl acetate
- MIRA-3
- N-(Acetoxymethyl)maleimide
- Acetic acid (2,5-dioxo-2,5-dihydro-1H-pyrrole)-1-ylmethyl ester
- N-(Acetoxymethyl)-maleimid
- N-Acetoxymethylmaleimid
- N-acetoxymethyl-maleimide
- N-Acetoxymethyl-maleinimid
- N-acetyloxy-methyl-maleimide
- NSC-19629
- UNII-TQZ6TD9N6W
- Maleimide, acetate (ester)
- SCHEMBL2756782
- 7450-68-2
- (2,5-dioxopyrrol-1-yl)methyl acetate
- 1H-Pyrrole-2,5-dione, 1-((acetyloxy)methyl)-
- Maleimide, N-(hydroxymethyl)-, acetate (ester)
- (2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl acetate #
- YJMUOPDZZMNVMR-UHFFFAOYSA-N
- 1H-Pyrrole-2,5-dione, 1-[(acetyloxy)methyl]-
- TQZ6TD9N6W
- 1H-Pyrrole-2, 1-[(acetyloxy)methyl]-
- N-acetoxymethylmaleimide
- DTXSID70996002
- NSC19629
- Maleimide, N-(hydroxymethyl)-, acetate
- 1-((Acetyloxy)methyl)-1H-pyrrole-2,5-dione
- 1-[(Acetyloxy)methyl]-1H-pyrrole-2,5-dione
-
- Inchi： 1S/C7H7NO4/c1-5(9)12-4-8-6(10)2-3-7(8)11/h2-3H,4H2,1H3
- InChI Key： YJMUOPDZZMNVMR-UHFFFAOYSA-N
- SMILES： O(C(C)=O)CN1C(C=CC1=O)=O
Computed Properties
- Exact Mass: 169.03751
- Monoisotopic Mass: 169.03750770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 251
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 63.7?2
Experimental Properties
- PSA: 63.68
- LogP: -0.63010
(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl acetate Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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