3-(2-Formyl-4-methyl-1H-pyrrol-3-yl)propionic acid supplier

Name
3-(2-ForMyl-4-Methyl-1H-pyrrol-3-yl)-propionic acid
EINECS
CAS No. 132281-87-9
Article Data4
CAS DataBase
Density 1.297g/cm³
Solubility
Melting Point
Formula C₉H₁₁NO₃
Boiling Point 379.4 °C at 760 mmHg
Molecular Weight 181.191
Flash Point 183.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms LogP
PSA 70.16000
LogP 1.15280

3-(2-Formyl-4-methyl-1H-pyrrol-3-yl)propionic acid Specification

The 3-(2-Formyl-4-methyl-1H-pyrrol-3-yl)propionic acid, with CAS registry number 132281-87-9, has the systematic name of 3-(2-formyl-4-methyl-1H-pyrrol-3-yl)propanoic acid. Its molecular weight is 181.1885. And the chemical formula of this chemical is C₉H₁₁NO₃.

Physical properties of 3-(2-Formyl-4-methyl-1H-pyrrol-3-yl)propionic acid: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 7.78; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 70.16 Å²; (11)Index of Refraction: 1.603; (12)Molar Refractivity: 48.01 cm³; (13)Molar Volume: 139.6 cm³; (14)Polarizability: 19.03×10^-24cm³; (15)Surface Tension: 59.4 dyne/cm; (16)Density: 1.297 g/cm³; (17)Flash Point: 183.3 °C; (18)Enthalpy of Vaporization: 66.19 kJ/mol; (19)Boiling Point: 379.4 °C at 760 mmHg; (20)Vapour Pressure: 1.97E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cnc(C=O)c1CCC(O)=O
(2)InChI: InChI=1/C9H11NO3/c1-6-4-10-8(5-11)7(6)2-3-9(12)13/h4-5,10H,2-3H2,1H3,(H,12,13)
(3)InChIKey: NUGJBBOAUVVKHE-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C9H11NO3/c1-6-4-10-8(5-11)7(6)2-3-9(12)13/h4-5,10H,2-3H2,1H3,(H,12,13)
(5)Std. InChIKey: NUGJBBOAUVVKHE-UHFFFAOYSA-N

Product Name

3-(2-ForMyl-4-Methyl-1H-pyrrol-3-yl)-propionic acid

3-(2-Formyl-4-methyl-1H-pyrrol-3-yl)propionic acid Specification

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