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44601-24-3

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Basic Information
CAS No.: 44601-24-3
Name: 4-hydroxypentanal
Article Data: 3
Molecular Structure:
Molecular Structure of 44601-24-3 (4-hydroxypentanal)
Formula: C5H10O2
Molecular Weight: 102.133
Synonyms: Valeraldehyde,4-hydroxy- (6CI,7CI);4-Hydroxypentanal;
Density: 0.961 g/cm3
Boiling Point: 193.6 °C at 760 mmHg
Flash Point: 75 °C
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Specification

The Pentanal, 4-hydroxy- is an organic compound with the formula C5H10O2. With the CAS registry number 44601-24-3, the IUPAC name of this chemical is 4-hydroxypentanal.

Physical properties about Pentanal, 4-hydroxy- are: (1)ACD/LogP: -0.22; (2)ACD/LogD (pH 5.5): -0.22; (3)ACD/LogD (pH 7.4): -0.22; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 18.09; (7)ACD/KOC (pH 7.4): 18.09; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.42; (13)Molar Refractivity: 26.89 cm3; (14)Molar Volume: 106.2 cm3; (15)Polarizability: 10.66×10-24cm3; (16)Surface Tension: 32.6 dyne/cm; (17)Density: 0.961 g/cm3; (18)Flash Point: 75 °C; (19)Enthalpy of Vaporization: 50.02 kJ/mol; (20)Boiling Point: 193.6 °C at 760 mmHg; (21)Vapour Pressure: 0.121 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CCCC(O)C
(2)InChI: InChI=1/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3
(3)InChIKey: HFZMJAMTNAAZQE-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3
(5)Std. InChIKey: HFZMJAMTNAAZQE-UHFFFAOYSA-N