1H-Pyrrole-3-carbonitrile,1-acetyl-2,5-dihydro-4-hydroxy- supplier

Name
1-ACETYL-4-HYDROXY-2,5-DIHYDRO-1H-PYRROLE-3-CARBONITRILE
EINECS
CAS No. 18721-38-5
Density 1.334 g/cm³
Solubility
Melting Point
Formula C₇H₈N₂O₂
Boiling Point 372.843 °C at 760 mmHg
Molecular Weight 152.153
Flash Point 179.29 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Pyrroline-3-carbonitrile,1-acetyl-4-hydroxy- (8CI);
PSA 64.33000
LogP 0.12208

1H-Pyrrole-3-carbonitrile,1-acetyl-2,5-dihydro-4-hydroxy- Specification

The 1H-Pyrrole-3-carbonitrile,1-acetyl-2,5-dihydro-4-hydroxy-, with the CAS registry number 18721-38-5, has the molecular formula C₇H₈N₂O₂. Besides, its molecular weight is 152.15062. Its systematic name is called 1-acetyl-4-hydroxy-2,5-dihydropyrrole-3-carbonitrile.

Physical properties of 1H-Pyrrole-3-carbonitrile,1-acetyl-2,5-dihydro-4-hydroxy-: (1)ACD/LogP: 0.78; (2)ACD/LogD (pH 5.5): 0.783; (3)ACD/LogD (pH 7.4): 0.719; (4)ACD/BCF (pH 5.5): 2.315; (5)ACD/BCF (pH 7.4): 2.001; (6)ACD/KOC (pH 5.5): 63.439; (7)ACD/KOC (pH 7.4): 54.838; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.568; (12)Molar Refractivity: 37.338 cm³; (13)Molar Volume: 114.073 cm³; (14)Surface Tension: 60.988 dyne/cm; (15)Density: 1.334 g/cm³; (16)Flash Point: 179.29 °C; (17)Enthalpy of Vaporization: 71.74 kJ/mol; (18)Boiling Point: 372.843 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)N1CC(=C(C1)O)C#N
(2)InChI: InChI=1/C7H8N2O2/c1-5(10)9-3-6(2-8)7(11)4-9/h11H,3-4H2,1H3
(3)InChIKey: BPSGAFXSNZOPFF-UHFFFAOYAW

Product Name

1-ACETYL-4-HYDROXY-2,5-DIHYDRO-1H-PYRROLE-3-CARBONITRILE

1H-Pyrrole-3-carbonitrile,1-acetyl-2,5-dihydro-4-hydroxy- Specification

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