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29212-57-5

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Basic Information
CAS No.: 29212-57-5
Name: 3-Hydroxypyrrole
Article Data: 3
Molecular Structure:
Molecular Structure of 29212-57-5 (3-Hydroxypyrrole)
Formula: C4H5NO
Molecular Weight: 83.0898
Synonyms: 3-Hydroxypyrrole;
Density: 1.255 g/cm3
Boiling Point: 246.323 °C at 760 mmHg
Flash Point: 102.773 °C
PSA: 36.02000
LogP: 0.72030
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Specification

The 1H-Pyrrol-3-ol, with the CAS registry number 29212-57-5, is also known as 3-Hydroxypyrrole. It belongs to the product category of Benzenes. This chemical's molecular formula is C4H5NO and molecular weight is 83.0886. What's more, its systematic name is called 1H-Pyrrol-3-ol.

Physical properties about 1H-Pyrrol-3-ol are: (1)ACD/LogP: 0.21; (2)#of Rule of 5 Violations: 0; (3) ACD/LogD (pH 7.4): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 21; (7)ACD/KOC (pH 7.4): 24; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 36.02 Å2; (12)Index of Refraction: 1.598; (13)Molar Refractivity: 22.568 cm3; (14)Molar Volume: 66.186 cm3; (15)Surface Tension: 57.043 dyne/cm; (16)Density: 1.255 g/cm3; (17)Flash Point: 102.773 °C; (18)Enthalpy of Vaporization: 50.301 kJ/mol; (19)Boiling Point: 246.323 °C at 760 mmHg; (20)Vapour Pressure: 0.017 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc1ccnc1
(2) InChI: InChI=1/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H
(3) InChIKey: ZPOROQKDAPEMOL-UHFFFAOYAX