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1175521-35-3

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Basic Information
CAS No.: 1175521-35-3
Name: 2,5-Dihydro-3-(1-methylethyl)-2,5-dioxo-1H-pyrrole-1-propanoic acid
Article Data: 5
Molecular Structure:
Molecular Structure of 1175521-35-3 (2,5-Dihydro-3-(1-methylethyl)-2,5-dioxo-1H-pyrrole-1-propanoic acid)
Formula: C10H13NO4
Molecular Weight: 211.21
Synonyms: 3-(3-Isopropyl-2,5-dioxo-pyrrol-1-yl)propanoic acid;
Density: 1.281 g/cm3
Boiling Point: 384.632 °C at 760 mmHg
Flash Point: 186.419 °C
PSA: 74.68000
LogP: 0.35020
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    Farinomalein OR 3-(3-isopropyl-2,5-dioxo-pyrrol-1-yl)propanoic acid OR 2,5-dihydro-3-(1-methylethyl)-2,5-dioxo-1H-pyrrole-1-propanoic acid.

    2011 10 June 2011 - Biopolymer R&D project funding received from the Technology Strategy Board, Grant for Research and Development sche

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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