2-Keto-4-pentenoic acid supplier

Name
2-Keto-4-pentenoic acid
EINECS
CAS No. 20406-62-6
Article Data5
CAS DataBase
Density 1.165 g/cm³
Solubility
Melting Point
Formula C₅H₆O₃
Boiling Point 180 °C at 760 mmHg
Molecular Weight 114.101
Flash Point 77 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-oxopent-4-enoic acid;2-Oxopentenoic acid;4-Pentenoic acid, 2-oxo-;
PSA 54.37000
LogP 0.21620

2-Keto-4-pentenoic acid Specification

The 2-Keto-4-pentenoic acid, with the CAS registry number 20406-62-6, is also known as 4-Pentenoic acid, 2-oxo-. This chemical's molecular formula is C₅H₆O₃ and molecular weight is 114.0993. What's more, both its IUPAC name and systematic name are the same which is called 2-Oxopent-4-enoic acid.

Physical properties about 2-Keto-4-pentenoic acid are: (1) ACD/LogP: -0.41; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -3.31; (4) ACD/LogD (pH 7.4): -4.13; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 3; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 43.37 Å²; (13) Index of Refraction: 1.454; (14) Molar Refractivity: 26.53 cm³; (15) Molar Volume: 97.9 cm³; (16) Surface Tension: 40.4 dyne/cm; (17) Density: 1.165 g/cm³; (18) Flash Point: 77 °C; (19) Enthalpy of Vaporization: 45.9 kJ/mol; (20) Boiling Point: 180 °C at 760 mmHg; (21) Vapour Pressure: 0.427 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(C(=O)O)C\C=C
(2) InChI: InChI=1/C5H6O3/c1-2-3-4(6)5(7)8/h2H,1,3H2,(H,7,8)
(3) InChIKey: NOXRYJAWRSNUJD-UHFFFAOYAP

Product Name

2-Keto-4-pentenoic acid

2-Keto-4-pentenoic acid Specification

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