1H-Pyrrole,3,4-dimethoxy- supplier

Name
3,4-DIMETHOXYPYRROLE
EINECS
CAS No. 105935-07-7
Article Data3
CAS DataBase
Density 1.098 g/cm³
Solubility
Melting Point
Formula C₆H₉NO₂
Boiling Point 217.951 °C at 760 mmHg
Molecular Weight 127.14
Flash Point 78.979 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,4-Dimethoxypyrrole;
PSA 34.25000
LogP 1.03190

1H-Pyrrole,3,4-dimethoxy- Specification

The 1H-Pyrrole,3,4-dimethoxy-, with the CAS registry number 105935-07-7, is also known as 3,4-Dimethoxypyrrole. This chemical's molecular formula is C₆H₉NO₂ and molecular weight is 127.14. What's more, both its IUPAC name and systematic name are the same which is called 3,4-Dimethoxy-1H-pyrrole.

Physical properties about 1H-Pyrrole,3,4-dimethoxy- are: (1)ACD/LogP: 0.348; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.43; (4)ACD/LogD (pH 7.4): 0.32; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.02; (7)ACD/KOC (pH 5.5): 6.11; (8)ACD/KOC (pH 7.4): 34.63; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.25 Å²; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 34.043 cm³; (15)Molar Volume: 115.761 cm³; (16)Polarizability: 13.496×10^-24cm³; (17)Surface Tension: 34.336 dyne/cm; (18)Density: 1.098 g/cm³; (19)Flash Point: 78.979 °C; (20)Enthalpy of Vaporization: 43.583 kJ/mol; (21)Boiling Point: 217.951 °C at 760 mmHg; (22)Vapour Pressure: 0.190 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1cncc1OC)C
(2) InChI: InChI=1S/C6H9NO2/c1-8-5-3-7-4-6(5)9-2/h3-4,7H,1-2H3
(3) InChIKey: QTTXPSXLMFARIT-UHFFFAOYSA-N

Product Name

3,4-DIMETHOXYPYRROLE

1H-Pyrrole,3,4-dimethoxy- Specification

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