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5132-30-9 | 3,3'-(Ethane-1,2-diyl)bis(1H-pyrrole-2,5-dione)
CAS No: 5132-30-9 Catalog No: AG003DD3 MDL No:MFCD00458699
Product Description
Catalog Number:
AG003DD3
Chemical Name:
3,3'-(Ethane-1,2-diyl)bis(1H-pyrrole-2,5-dione)
CAS Number:
5132-30-9
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
MDL Number:
MFCD00458699
IUPAC Name:
1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione
InChI:
InChI=1S/C10H8N2O4/c13-7-1-2-8(14)11(7)5-6-12-9(15)3-4-10(12)16/h1-4H,5-6H2
InChI Key:
PUKLCKVOVCZYKF-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C=C1CCC1=CC(=O)NC1=O
NSC Number:
41127
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.184g/mol
Monoisotopic Mass:
220.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
Literature
| Title | Journal |
|---|---|
| Bioluminescence is produced from a trapped firefly luciferase conformation predicted by the domain alternation mechanism. | Journal of the American Chemical Society 20110727 |
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