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13118-04-2 | 1H-Pyrrole-2,5-dione, 1,1'-(1,2-phenylene)bis-
CAS No: 13118-04-2 Catalog No: AG000VNP MDL No:MFCD00005503
Product Description
Catalog Number:
AG000VNP
Chemical Name:
1H-Pyrrole-2,5-dione, 1,1'-(1,2-phenylene)bis-
CAS Number:
13118-04-2
Molecular Formula:
C14H8N2O4
Molecular Weight:
268.2243
MDL Number:
MFCD00005503
IUPAC Name:
1-[2-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
InChI:
InChI=1S/C14H8N2O4/c17-11-5-6-12(18)15(11)9-3-1-2-4-10(9)16-13(19)7-8-14(16)20/h1-8H
InChI Key:
UFFVWIGGYXLXPC-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)N1c1ccccc1N1C(=O)C=CC1=O
EC Number:
236-046-5
UNII:
W46FEU5446
NSC Number:
13693
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.048g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.228g/mol
Monoisotopic Mass:
268.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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