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| CAS No.: | 503-83-3 |
|---|---|
| Name: | Tetramic acid |
| Molecular Structure: | |
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| Formula: | C4H5NO2 |
| Molecular Weight: | 99.0892 |
| Synonyms: | 3-Pyrrolin-2-one,4-hydroxy- (7CI,8CI); |
| Density: | 1.425 g/cm3 |
| Melting Point: | 120 °C |
| Boiling Point: | 267.706 °C at 760 mmHg |
| Flash Point: | 115.705 °C |
| PSA: | 49.33000 |
| LogP: | -0.11310 |
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- Total:32 Page 1 of 1 1
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Specification
The Tetramic acid, with the CAS registry number 503-83-3, is also known as 1,5-Dihydro-4-hydroxy-2H-pyrrol-2-one. This chemical's molecular formula is C4H5NO2 and molecular weight is 99.09. What's more, its IUPAC name is called 3-Hydroxy-1,2-dihydropyrrol-5-one.
Physical properties about Tetramic acid are: (1)ACD/LogP: -1.572; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.11; (4)ACD/LogD (pH 7.4): -3.84; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 49.33 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 23.116 cm3; (15)Molar Volume: 69.52 cm3; (16)Polarizability: 9.164×10-24cm3; (17)Surface Tension: 61.719 dyne/cm; (18)Density: 1.425 g/cm3; (19)Flash Point: 115.705 °C; (20)Enthalpy of Vaporization: 58.726 kJ/mol; (21)Boiling Point: 267.706 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1\C=C(\O)NC1
(2) InChI: InChI=1S/C4H5NO2/c6-3-1-4(7)5-2-3/h1,5,7H,2H2
(3) InChIKey: NJJPXMPIMYDKGI-UHFFFAOYSA-N