1H-Pyrrole-3-carboxylicacid, 1-methyl- supplier

Name
1H-PYRROLE-3-CARBOXYLIC ACID, 1-METHYL-
EINECS
CAS No. 36929-61-0
Article Data9
CAS DataBase
Density 1.194 g/cm³
Solubility
Melting Point
Formula C₆H₇NO₂
Boiling Point 276.566 °C at 760 mmHg
Molecular Weight 125.127
Flash Point 121.063 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Methyl-1H-pyrrole-3-carboxylicacid;1-Methyl-3-pyrrolecarboxylic acid;1-Methyl-1H-Pyrrole-3-carboxylic acid;1-methyl-1H-pyrrole-3-carboxylic acid;1-methylpyrrole-3-carboxylic acid;
PSA 42.23000
LogP 0.72330

1H-Pyrrole-3-carboxylicacid, 1-methyl- Specification

The 1H-Pyrrole-3-carboxylicacid, 1-methyl-, with the CAS registry number 36929-61-0, has the systematic name of 1-methyl-1H-pyrrole-3-carboxylic acid. It is also called 1-methylpyrrole-3-carboxylic acid. And the molecular formula of the chemical is C₆H₇NO₂.

The characteristics of 1H-Pyrrole-3-carboxylicacid, 1-methyl- are as followings: (1)ACD/LogD (pH 5.5): 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 20; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 42.23 Å²; (10)Index of Refraction: 1.544; (11)Molar Refractivity: 33.118 cm³; (12)Molar Volume: 104.833 cm³; (13)Polarizability: 13.129×10^-24cm³; (14)Surface Tension: 43.445 dyne/cm; (15)Density: 1.194 g/cm³; (16)Flash Point: 121.063 °C; (17)Enthalpy of Vaporization: 54.408 kJ/mol; (18)Boiling Point: 276.566 °C at 760 mmHg; (19)Vapour Pressure: 0.002 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1ccn(c1)C
(2)InChI: InChI=1/C6H7NO2/c1-7-3-2-5(4-7)6(8)9/h2-4H,1H3,(H,8,9)
(3)InChIKey: OONDRKVHFCQDCG-UHFFFAOYAY

Product Name

1H-PYRROLE-3-CARBOXYLIC ACID, 1-METHYL-

1H-Pyrrole-3-carboxylicacid, 1-methyl- Specification

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