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CAS No.: | 155815-95-5 |
---|---|
Name: | 4-AMINO-1H-PYRROLE-2-CARBOXYLIC ACID |
Molecular Structure: | |
Formula: | C5H6N2O2 |
Molecular Weight: | 126.1133 |
Synonyms: | 4-azanyl-1H-pyrrole-2-carboxylic acid |
Density: | 1.527 g/cm3 |
Boiling Point: | 470.5 °C at 760 mmHg |
Flash Point: | 238.3 °C |
PSA: | 79.11000 |
LogP: | 0.87630 |
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The 1H-Pyrrole-2-carboxylicacid, 4-amino-, with the CAS registry number 155815-95-5, belongs to the product categories of AMINOACID; AMINEPRIMARY. This chemical's molecular formula is C5H6N2O2 and molecular weight is 126.1133. What's more, its systematic name is called 4-Amino-1H-pyrrole-2-carboxylic acid.
Physical properties about 1H-Pyrrole-2-carboxylicacid, 4-amino- are: (1)#of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 79.11 Å2; (10)Index of Refraction: 1.698; (11)Molar Refractivity: 31.85 cm3; (12)Molar Volume: 82.5 cm3; (13)Polarizability: 12.62×10-24 cm3; (14)Surface Tension: 90.7 dyne/cm; (15)Density: 1.527 g/cm3; (16)Flash Point: 238.3 °C; (17)Enthalpy of Vaporization: 77.23 kJ/mol; (18)Boiling Point: 470.5 °C at 760 mmHg; (19)Vapour Pressure: 1.18E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)c1cc(N)cn1
(2) InChI: InChI=1/C5H6N2O2/c6-3-1-4(5(8)9)7-2-3/h1-2,7H,6H2,(H,8,9)
(3) InChIKey: APTHSBLGVMYQRL-UHFFFAOYAJ