Products Categories
CAS No.: | 117613-30-6 |
---|---|
Name: | 4-METHYL-4H-FURO[3,2-B]PYRROLE-5-CARBOXYLIC ACID |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H7NO3 |
Molecular Weight: | 165.148 |
Synonyms: | 4-Methyl-4H-furo[3, 2-b]pyrrole-5-carboxylic acid; |
Density: | 1.43 g/cm3 |
Melting Point: | 200 °C |
Boiling Point: | 348.3 °C at 760 mmHg |
Flash Point: | 164.4 °C |
Risk Codes: | Harmful:; "> Harmful:; |
Safety: | 26-39 |
PSA: | 55.37000 |
LogP: | 1.46950 |
What can I do for you?
Get Best Price
The 4H-Furo[3, 2-b]pyrrole-5-carboxylicacid, 4-methyl-, with the CAS registry number of 117613-30-6, is also known as 4H-Furo[3, 2-b]pyrrole-5-carboxylicacid, 4-methyl- (9CI). It belongs to the product category of Glycinescaffold. This chemical's molecular formula is C8H7NO3 and molecular weight is 165.15. What's more, its systematic name is called 4-Methyl-4H-furo[3, 2-b]pyrrole-5-carboxylic acid.
Physical properties about 4H-Furo[3, 2-b]pyrrole-5-carboxylicacid, 4-methyl- are: (1)ACD/LogP: 1.22; (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): 3.03; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 44.37 Å2; (11)Index of Refraction: 1.633; (12)Molar Refractivity: 41.17 cm3; (13)Molar Volume: 115.2 cm3; (14)Surface Tension: 52.8 dyne/cm; (15)Density: 1.43 g/cm3; (16)Flash Point: 164.4 °C; (17)Enthalpy of Vaporization: 62.54 kJ/mol; (18)Boiling Point: 348.3 °C at 760 mmHg; (19)Vapour Pressure: 1.92E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c2cc1occc1n2C
(2) InChI: InChI=1/C8H7NO3/c1-9-5-2-3-12-7(5)4-6(9)8(10)11/h2-4H,1H3,(H,10,11)
(3) InChIKey: ITEWRYWRNQCNHT-UHFFFAOYAU