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CAS No.: | 33955-17-8 |
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Name: | (THIOPHENE-2-CARBONYL)-AMINO]-ACETIC ACID |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C7H7NO3S |
Molecular Weight: | 185.203 |
Synonyms: | Glycine,N-2-thenoyl- (8CI);2-Thenoylglycine;N-Thenoylglycine;N-[(Thien-2-yl)carbonyl]glycine; |
Density: | 1.42 g/cm3 |
Boiling Point: | 494.8 °C at 760 mmHg |
Flash Point: | 253.1 °C |
PSA: | 94.64000 |
LogP: | 0.95340 |
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This chemical is called Glycine,N-(2-thienylcarbonyl)-, and its IUPAC name is 2-(thiophene-2-carbonylamino)acetate. With the molecular formula of C7H7NO3S, its molecular weight is 185.20. The CAS registry number of this chemical is 33955-17-8.
Other characteristics of the Glycine,N-(2-thienylcarbonyl)- can be summarised as followings: (1)ACD/LogP: 0.15; (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): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 74.85 Å2; (11)Index of Refraction: 1.597; (12)Molar Refractivity: 44.45 cm3; (13)Molar Volume: 130.3 cm3; (14)Polarizability: 17.62×10-24cm3; (15)Surface Tension: 61.5 dyne/cm; (16)Density: 1.42 g/cm3; (17)Flash Point: 253.1 °C; (18)Enthalpy of Vaporization: 80.28 kJ/mol; (19)Boiling Point: 494.8 °C at 760 mmHg; (20)Vapour Pressure: 1.31E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(NCC(=O)O)c1sccc1
2.InChI: InChI=1/C7H7NO3S/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10)
3.InChIKey: NXTJGIBOVGESBV-UHFFFAOYAN