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5746-02-1

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Basic Information
CAS No.: 5746-02-1
Name: 5-Oxopentanoic acid
Article Data: 8
Molecular Structure:
Molecular Structure of 5746-02-1 (5-Oxopentanoic acid)
Formula: C5H8O3
Molecular Weight: 116.117
Synonyms: Pentanoic acid, 5-oxo-;4-Formylbutyric acid;Pentanoic acid,5-oxo-;5-oxopentanoic acid;
Density: 1.127g/cm3
Melting Point: 81-82 °C
Boiling Point: 273 °C at 760 mmHg
Flash Point: 133.2 °C
PSA: 54.37000
LogP: 0.44020
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Specification

The Glutaraldehydic acid, with CAS registry number 5746-02-1, has the systematic name of 5-oxopentanoic acid. Besides this, it is also called 4-formylbutyric acid. And the chemical formula of this chemical is C5H8O3.

Physical properties of Glutaraldehydic acid: (1)ACD/LogP: -0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2.51; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 43.37 Å2; (11)Index of Refraction: 1.436; (12)Molar Refractivity: 26.96 cm3; (13)Molar Volume: 103 cm3; (14)Polarizability: 10.68×10-24cm3; (15)Surface Tension: 41.6 dyne/cm; (16)Density: 1.127 g/cm3; (17)Flash Point: 133.2 °C; (18)Enthalpy of Vaporization: 56.28 kJ/mol; (19)Boiling Point: 273 °C at 760 mmHg; (20)Vapour Pressure: 0.00163 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CCCCC(=O)O
(2)InChI: InChI=1/C5H8O3/c6-4-2-1-3-5(7)8/h4H,1-3H2,(H,7,8)
(3)InChIKey: VBKPPDYGFUZOAJ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C5H8O3/c6-4-2-1-3-5(7)8/h4H,1-3H2,(H,7,8)
(5)Std. InChIKey: VBKPPDYGFUZOAJ-UHFFFAOYSA-N