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Farinomalein

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Name

Farinomalein

EINECS N/A
CAS No. 1175521-35-3 Density 1.281 g/cm3
PSA 74.68000 LogP 0.35020
Solubility N/A Melting Point N/A
Formula C10H13NO4 Boiling Point 384.632 °C at 760 mmHg
Molecular Weight 211.21 Flash Point 186.419 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1175521-35-3 (2,5-Dihydro-3-(1-methylethyl)-2,5-dioxo-1H-pyrrole-1-propanoic acid) Hazard Symbols N/A
Synonyms

3-(3-Isopropyl-2,5-dioxo-pyrrol-1-yl)propanoic acid;

Article Data 5

Farinomalein Specification

The Farinomalein with CAS registry number of 1175521-35-3 is also known as 2,5-Dihydro-3-(1-methylethyl)-2,5-dioxo-1H-pyrrole-1-propanoic acid. The systematic name is 3-(3-Isopropyl-2,5-dioxo-pyrrol-1-yl)propanoic acid. In addition, the formula is C10H13NO4 and the molecular weight is 211.21.

Physical properties about Farinomalein are: (1)ACD/LogP: 1.34; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 7.419; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 4; (9)Index of Refraction: 1.534; (10)Molar Refractivity: 51.263 cm3; (11)Molar Volume: 164.874 cm3; (12)Surface Tension: 51.49 dyne/cm; (13)Density: 1.281 g/cm3; (14)Flash Point: 186.419 °C; (15)Enthalpy of Vaporization: 69.529 kJ/mol; (16)Boiling Point: 384.632 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: CC(C)C1=CC(=O)N(C1=O)CCC(=O)O
2. InChI: InChI=1/C10H13NO4/c1-6(2)7-5-8(12)11(10(7)15)4-3-9(13)14/h5-6H,3-4H2,1-2H3,(H,13,14)
3. InChIKey: UWAZSQUZHSRNTR-UHFFFAOYAK
4. Std. InChI: InChI=1S/C10H13NO4/c1-6(2)7-5-8(12)11(10(7)15)4-3-9(13)14/h5-6H,3-4H2,1-2H3,(H,13,14)
5. Std. InChIKey: UWAZSQUZHSRNTR-UHFFFAOYSA-N

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