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89186-03-8 | 2H-Pyrrole-3,4-dione, 5-[1-(acetyloxy)-1-methylethyl]-2,2-dimethyl-
CAS No: 89186-03-8 Catalog No: AG003W0B MDL No:
Product Description
Catalog Number:
AG003W0B
Chemical Name:
2H-Pyrrole-3,4-dione, 5-[1-(acetyloxy)-1-methylethyl]-2,2-dimethyl-
CAS Number:
89186-03-8
Molecular Formula:
C11H15NO4
Molecular Weight:
225.2411
IUPAC Name:
2-(5,5-dimethyl-3,4-dioxopyrrol-2-yl)propan-2-yl acetate
InChI:
InChI=1S/C11H15NO4/c1-6(13)16-11(4,5)8-7(14)9(15)10(2,3)12-8/h1-5H3
InChI Key:
QEUNUYSTEAIZEM-UHFFFAOYSA-N
SMILES:
CC(=O)OC(C1=NC(C(=O)C1=O)(C)C)(C)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.244g/mol
Monoisotopic Mass:
225.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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