Farinomalein supplier | CasNO.1175521-35-3

Name
2,5-Dihydro-3-(1-methylethyl)-2,5-dioxo-1H-pyrrole-1-propanoic acid
EINECS
CAS No. 1175521-35-3
Article Data5
CAS DataBase
Density 1.281 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₃NO₄
Boiling Point 384.632 °C at 760 mmHg
Molecular Weight 211.21
Flash Point 186.419 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(3-Isopropyl-2,5-dioxo-pyrrol-1-yl)propanoic acid;
PSA 74.68000
LogP 0.35020

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

Product Name

2,5-Dihydro-3-(1-methylethyl)-2,5-dioxo-1H-pyrrole-1-propanoic acid

Farinomalein Specification

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