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CAS No.: | 5746-02-1 |
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Name: | 5-Oxopentanoic acid |
Article Data: | 8 |
Molecular Structure: | |
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 |
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