Basic information
- Name:
N-(4-Carboxy-3-hydroxyphenyl)maleimide
- CAS No.:
19232-43-0
- Molecular Structure:
- Formula:
- C11H7NO5
- Molecular Weight:
- 233.18
- Synonyms:
- Benzoic acid,4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-2-hydroxy-;4-Maleimidosalicylic acid;M 84;NSC 59375;Salicylicacid, 4-maleimido- (8CI);
- Density:
- 1.651 g/cm3
- Boiling Point:
- 505.1 °C at 760 mmHg
- Flash Point:
- 259.3 °C
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Specification
The N-(4-Carboxy-3-hydroxyphenyl)maleimide, with the CAS registry number 19232-43-0, is also known as 4-(2, 5-Dioxo-2, 5-dihydro-1H-pyrrol-1-yl)-2-hydroxybenzoic acid. This chemical's molecular formula is C11H7NO5 and molecular weight is 233.18. What's more, its IUPAC name is 4-(2, 5-Dioxopyrrol-1-yl)-2-hydroxybenzoic acid.
Physical properties about N-(4-Carboxy-3-hydroxyphenyl)maleimide are: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.13; (4)ACD/LogD (pH 7.4): -2.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.91 Å2; (13)Index of Refraction: 1.709; (14)Molar Refractivity: 55.13 cm3; (15)Molar Volume: 141.2 cm3; (16)Polarizability: 21.85×10-24 cm3; (17)Surface Tension: 89.5 dyne/cm; (18)Density: 1.651 g/cm3; (19)Flash Point: 259.3 °C; (20)Enthalpy of Vaporization: 81.57 kJ/mol; (21)Boiling Point: 505.1 °C at 760 mmHg; (22)Vapour Pressure: 5.06E-11 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1c(O)cc(cc1)N2C(=O)\C=C/C2=O
(2) InChI: InChI=1/C11H7NO5/c13-8-5-6(1-2-7(8)11(16)17)12-9(14)3-4-10(12)15/h1-5,13H,(H,16,17)
(3) InChIKey: SMSVFCGGVBWUJL-UHFFFAOYAF