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1H-Pyrrole-2-aceticacid

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Name

1H-Pyrrole-2-aceticacid

EINECS N/A
CAS No. 79673-53-3 Density 1.314 g/cm3
PSA 53.09000 LogP 0.64180
Solubility N/A Melting Point 79-82 °C
Formula C6H7NO2 Boiling Point 312.165 °C at 760 mmHg
Molecular Weight 125.127 Flash Point 142.593 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 79673-53-3 ((1H-PYRROL-2-YL)-ACETIC ACID) Hazard Symbols N/A
Synonyms

Pyrrole-2-aceticacid (6CI);(Pyrrol-2-yl)acetic acid;1H-pyrrol-2-ylacetic acid;(1H-Pyrrol-2-yl)-acetic acid;

Article Data 7

1H-Pyrrole-2-aceticacid Specification

This chemical is called 1H-Pyrrole-2-aceticacid, and it can also be named as (Pyrrol-2-yl)acetic acid. Its molecular formula is C6H7NO2. The CAS registry number of this chemical is 79673-53-3, and its product category is Pyrrole. Additionally, the systematic name of this chemical is 2-(1H-pyrrol-2-yl)acetic acid. 

Other characteristics of the 1H-Pyrrole-2-aceticacid can be summarised as follows: (1)ACD/LogP: 0.27; (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): 2.864; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 53.09 Å2; (11)Index of Refraction: 1.583; (12)Molar Refractivity: 31.8 cm3; (13)Molar Volume: 95.199 cm3; (14)Polarizability: 12.606×10-24 cm3; (15)Surface Tension: 60.287 dyne/cm; (16)Density: 1.314 g/cm3; (17)Flash Point: 142.593 °C; (18)Enthalpy of Vaporization: 58.402 kJ/mol; (19)Boiling Point: 312.165 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: c1cc([nH]c1)CC(=O)O
2.InChI: InChI=1/C6H7NO2/c8-6(9)4-5-2-1-3-7-5/h1-3,7H,4H2,(H,8,9)
3.InChIKey: GVUHUYQEAGMUNJ-UHFFFAOYAD

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