Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl 3-hydroxy-5-nitro-2-thiophenecarboxylate |
EINECS | N/A |
CAS No. | 89380-77-8 | Density | 1.599 g/cm3 |
PSA | 120.59000 | LogP | 1.67170 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H5NO5S | Boiling Point | 329.379 °C at 760 mmHg |
Molecular Weight | 203.175 | Flash Point | 153.003 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl3-hydroxy-5-nitro-2-thiophenecarboxylate; |
Article Data | 3 |
The CAS register number of Methyl 3-hydroxy-5-nitro-2-thiophenecarboxylate is 89380-77-8. It also can be called as 2-Thiophenecarboxylicacid, 3-hydroxy-5-nitro-, methyl ester and the systematic name about this chemical is methyl 3-hydroxy-5-nitro-thiophene-2-carboxylate. It belongs to the Aminoacid.
Physical properties about Methyl 3-hydroxy-5-nitro-2-thiophenecarboxylate are: (1)ACD/LogP: 2.65; (2)ACD/LogD (pH 5.5): 2.643; (3)ACD/LogD (pH 7.4): 2.506; (4)ACD/BCF (pH 5.5): 59.958; (5)ACD/BCF (pH 7.4): 43.758; (6)ACD/KOC (pH 5.5): 651.047; (7)ACD/KOC (pH 7.4): 475.135; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 120.59Å2; (12)Index of Refraction: 1.623; (13)Molar Refractivity: 44.838 cm3; (14)Molar Volume: 127.077 cm3; (15)Polarizability: 17.775x10-24cm3; (16)Surface Tension: 68.644 dyne/cm; (17)Enthalpy of Vaporization: 59.456 kJ/mol; (18)Boiling Point: 329.379 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1c(cc(s1)N(=O)=O)O
(2)InChI: InChI=1/C6H5NO5S/c1-12-6(9)5-3(8)2-4(13-5)7(10)11/h2,8H,1H3
(3)InChIKey: CJHDSFKNSOHWCK-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C6H5NO5S/c1-12-6(9)5-3(8)2-4(13-5)7(10)11/h2,8H,1H3
(5)Std. InChIKey: CJHDSFKNSOHWCK-UHFFFAOYSA-N