1H-Pyrrole-1-aceticacid supplier

Name
2-pyrrol-1-ylacetic acid
EINECS
CAS No. 19167-98-7
Article Data13
CAS DataBase
Density 1.18 g/cm³
Solubility
Melting Point
Formula C₆H₇NO₂
Boiling Point 271.4 °C at 760 mmHg
Molecular Weight 125.1253
Flash Point 118 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrrole-1-aceticacid (8CI);2-(1-Pyrrolyl)acetic acid;NSC 50134;
PSA 42.23000
LogP 0.57270

1H-Pyrrole-1-aceticacid Specification

The 1H-Pyrrole-1-aceticacid, with the CAS registry number 19167-98-7, is also known as 2-(1-Pyrrolyl)acetic acid. This chemical's molecular formula is C₆H₇NO₂ and molecular weight is 125.1253. What's more, its systematic name and its IUPAC name are the same which is called 2-Pyrrol-1-ylacetic acid.

Physical properties about 1H-Pyrrole-1-aceticacid: (1)ACD/LogP: 0.70; (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): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 31.23 Å²; (11)Index of Refraction: 1.542; (12)Molar Refractivity: 33.3 cm³; (13)Molar Volume: 105.7 cm³; (14)Polarizability: 13.2×10^-24cm³; (15)Surface Tension: 46.9 dyne/cm; (16)Density: 1.18 g/cm³; (17)Flash Point: 118 °C; (18)Enthalpy of Vaporization: 53.84 kJ/mol; (19)Boiling Point: 271.4 °C at 760 mmHg; (20)Vapour Pressure: 0.00316 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)Cn1cccc1
(2) InChI: InChI=1/C6H7NO2/c8-6(9)5-7-3-1-2-4-7/h1-4H,5H2,(H,8,9)
(3) InChIKey: CHRZYRWWZQCZBV-UHFFFAOYAN

Product Name

2-pyrrol-1-ylacetic acid

1H-Pyrrole-1-aceticacid Specification

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