| Identification | |
| Name: | 1H-Pyrrole-2-carboxylicacid, 4-acetyl- |
| Synonyms: | Pyrrole-2-carboxylicacid, 4-acetyl- (8CI);4-Acetyl-1H-pyrrole-2-carboxylic acid; |
| CAS: | 16168-93-7 |
| Molecular Formula: | C7H7NO3 |
| Molecular Weight: | 153.14 |
| InChI: | InChI=1/C7H7NO3/c1-4(9)5-2-6(7(10)11)8-3-5/h2-3,8H,1H3,(H,10,11)/p-1 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.369 g/cm3 |
| Specification: |
The 4-Acetyl-1H-pyrrole-2-carboxylic acid with the CAS number 16168-93-7 is also called 1H-Pyrrole-2-carboxylicacid, 4-acetyl-. Its molecular formula is C7H7NO3. The product category is pharmacetical. This chemical is irritant. While using this chemical, you should be very cautious. The properties of the chemical are: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.11; (4)ACD/LogD (pH 7.4): -2.48; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.08; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 48.3Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 37.64 cm3; (15)Molar Volume: 111.8 cm3; (16)Polarizability: 14.92×10-24cm3; (17)Surface Tension: 62.3 dyne/cm; (18)Enthalpy of Vaporization: 71.05 kJ/mol; (19)Vapour Pressure: 8.26×10-8 mmHg at 25°C. You can still convert the following datas into molecular structure: |
| Safety Data | |
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