Basic information
- Name:
1H-Pyrrole-1-aceticacid, 2,5-dihydro-2,5-dioxo-
- CAS No.:
25021-08-3
- Molecular Structure:
- Formula:
- C6H5NO4
- Molecular Weight:
- 155.1082
- Synonyms:
- 3-Pyrroline-1-aceticacid, 2,5-dioxo- (8CI);2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-acetic acid;Aceticacid, maleimido-;Maleimidoacetic acid;N-(Carboxymethyl)maleimide;N-Maleimidoglycine;N-Maleoylglycine;NSC 266055;
- Density:
- 1.578 g/cm3
- Boiling Point:
- 376.7 °C at 760 mmHg
- Flash Point:
- 181.6 °C
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Specification
The 1H-Pyrrole-1-aceticacid, 2,5-dihydro-2,5-dioxo-, with the CAS registry number 25021-08-3, is also known as NSC266055. This chemical's molecular formula is C6H5NO4 and molecular weight is 155.1082. Its IUPAC name is called 2-(2,5-dioxopyrrol-1-yl)acetic acid.
Physical properties of 1H-Pyrrole-1-aceticacid, 2,5-dihydro-2,5-dioxo-: (1)ACD/LogP: -0.69; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.581; (10)Molar Refractivity: 32.76 cm3; (11)Molar Volume: 98.2 cm3; (12)Surface Tension: 72.9 dyne/cm; (13)Density: 1.578 g/cm3; (14)Flash Point: 181.6 °C; (15)Enthalpy of Vaporization: 68.56 kJ/mol; (16)Boiling Point: 376.7 °C at 760 mmHg; (17)Vapour Pressure: 1.03E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=O)N(C1=O)CC(=O)O
(2)InChI: InChI=1S/C6H5NO4/c8-4-1-2-5(9)7(4)3-6(10)11/h1-2H,3H2,(H,10,11)
(3)InChIKey: GBKPNGVKZQBPCZ-UHFFFAOYSA-N
