Products Categories
CAS No.: | 935-72-8 |
---|---|
Name: | 1H-Pyrrole-3,4-dicarboxylic acid |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C6H5NO4 |
Molecular Weight: | 155.11 |
Synonyms: | Pyrrole-3,4-dicarboxylic acid (6CI,7CI,8CI);NSC 625159; |
Density: | 1.671 g/cm3 |
Melting Point: | 311 - 313 °C |
Boiling Point: | 480.705 °C at 760 mmHg |
Flash Point: | 244.522 °C |
PSA: | 90.39000 |
LogP: | 0.41110 |
What can I do for you?
Get Best Price
1H-Pyrrole-3,4-dicarboxylic acid is an organic compound with the formula C6H5NO4, and its systematic name is the same with the product name. With the CAS registry number 935-72-8, it is also named as Pyrrole-3,4-dicarboxylic acid. In addition, the molecular weight is 155.11.
Physical properties of 1H-Pyrrole-3,4-dicarboxylic acid are: (1)ACD/LogP: -0.135; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.78; (4)ACD/LogD (pH 7.4): -4.25; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 90.39 Å2; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 34.546 cm3; (15)Molar Volume: 92.815 cm3; (16)Polarizability: 13.695×10-24cm3; (17)Surface Tension: 96.81 dyne/cm; (18)Density: 1.671 g/cm3; (19)Flash Point: 244.522 °C; (20)Enthalpy of Vaporization: 78.503 kJ/mol; (21)Boiling Point: 480.705 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cncc1C(=O)O
(2)Std. InChI: InChI=1S/C6H5NO4/c8-5(9)3-1-7-2-4(3)6(10)11/h1-2,7H,(H,8,9)(H,10,11)
(3)Std. InChIKey: JFVDNCRMBALUKH-UHFFFAOYSA-N