(PYRROLYL-3)-4 BUTANOIC ACID

The 1H-Pyrrole-3-butanoicacid is an organic compound with the formula C₈H₁₁NO₂. The systematic name of this chemical is 4-(1H-pyrrol-3-yl)butanoic acid. With the CAS registry number 30000-61-4, it is also named as Pyrrole-3-butyric acid. The product's categories are Polypyrroles and Pyrrole MonomersBuilding Blocks; Conducting Polymers and Monomers; Heterocyclic Building Blocks; Organic Conductors and Photovoltaics: OFET and OPV Materials; Pyrroles.

Physical properties about 1H-Pyrrole-3-butanoicacid are: (1)ACD/LogP: 0.95; (2)ACD/LogD (pH 5.5): 0.21; (3)ACD/LogD (pH 7.4): ; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 14.12; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 31.23 Å²; (12)Index of Refraction: 1.553; (13)Molar Refractivity: 41.06 cm³; (14)Molar Volume: 128.2 cm³; (15)Polarizability: 16.27×10^-24cm³; (16)Surface Tension: 52.3 dyne/cm; (17)Density: 1.194 g/cm³; (18)Flash Point: 152.2 °C; (19)Enthalpy of Vaporization: 60.21 kJ/mol; (20)Boiling Point: 328 °C at 760 mmHg; (21)Vapour Pressure: 7.88E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCc1ccnc1
(2)InChI: InChI=1/C8H11NO2/c10-8(11)3-1-2-7-4-5-9-6-7/h4-6,9H,1-3H2,(H,10,11)
(3)InChIKey: ZILGRACWFSKIFU-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C8H11NO2/c10-8(11)3-1-2-7-4-5-9-6-7/h4-6,9H,1-3H2,(H,10,11)
(5)Std. InChIKey: ZILGRACWFSKIFU-UHFFFAOYSA-N