-
Name
Tetramic acid
- EINECS
- CAS No. 503-83-3
- Article Data1
- CAS DataBase
- Density 1.425 g/cm3
- Solubility
- Melting Point 120 °C
- Formula C4H5NO2
- Boiling Point 267.706 °C at 760 mmHg
- Molecular Weight 99.0892
- Flash Point 115.705 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-Pyrrolin-2-one,4-hydroxy- (7CI,8CI);
- PSA 49.33000
- LogP -0.11310
Tetramic acid 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
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