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1H-Pyrrole-3-butanoicacid

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Name

1H-Pyrrole-3-butanoicacid

EINECS N/A
CAS No. 30000-61-4 Density 1.194 g/cm3
PSA 53.09000 LogP 1.42200
Solubility N/A Melting Point 91-95 °C
Formula C8H11NO2 Boiling Point 328 °C at 760 mmHg
Molecular Weight 153.18 Flash Point 152.2 °C
Transport Information N/A Appearance N/A
Safety 26-36/37 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 30000-61-4 ((PYRROLYL-3)-4 BUTANOIC ACID) Hazard Symbols IrritantXi
Synonyms

4-(3-Pyrrolyl)butyric acid;Pyrrole-3-butyricacid (8CI);

Article Data 4

1H-Pyrrole-3-butanoicacid Specification

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

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