4-Acetyl-1H-pyrrole-2-carboxylic acid supplier

Name
4-Acetyl-1H-pyrrole-2-carboxylic acid
EINECS
CAS No. 16168-93-7
Density 1.369 g/cm³
Solubility
Melting Point 229-232°C
Formula C₇H₇NO₃
Boiling Point 420.1 °C at 760 mmHg
Molecular Weight 153.137
Flash Point 207.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrrole-2-carboxylicacid, 4-acetyl- (8CI);4-Acetyl-1H-pyrrole-2-carboxylic acid;
PSA 70.16000
LogP 0.91550

4-Acetyl-1H-pyrrole-2-carboxylic acid 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:
(1)SMILES: O=C(O)c1cc(C(=O)C)cn1
(2)InChI: InChI=1/C7H7NO3/c1-4(9)5-2-6(7(10)11)8-3-5/h2-3,8H,1H3,(H,10,11)
(3)InChIKey: VVIPTQFODJDSQU-UHFFFAOYAD

Product Name

4-Acetyl-1H-pyrrole-2-carboxylic acid

4-Acetyl-1H-pyrrole-2-carboxylic acid Specification

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