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Name |
2-Butenoic acid,4-[[4-(aminosulfonyl)phenyl]amino]-4-oxo-, (Z)- (9CI) |
EINECS | N/A |
CAS No. | 1886-79-9 | Density | 1.564 g/cm3 |
PSA | 134.94000 | LogP | 1.76740 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H10N2O5S | Boiling Point | N/A |
Molecular Weight | 270.266 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(2Z)-4-Oxo-4-[(4-sulfamoylphenyl)amino]but-2-enoic acid; |
Article Data | 4 |
The 2-Butenoic acid, 4-[[4-(aminosulfonyl)phenyl]amino]-4-oxo-, (Z)- (9CI), with the CAS registry number 1886-79-9, is also known as (2Z)-4-Oxo-4-[(4-sulfamoylphenyl)amino]but-2-enoic acid. This chemical's molecular formula is C10H10N2O5S and molecular weight is 270.26. What's more, its IUPAC name is (Z)-4-Oxo-4-(4-sulfamoylanilino)but-2-enoic acid.
Physical properties about 2-Butenoic acid, 4-[[4-(aminosulfonyl)phenyl]amino]-4-oxo-, (Z)- (9CI) are: (1)ACD/LogP: 0.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.53; (4)ACD/LogD (pH 7.4): -3.57; (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: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 92.37 Å2; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 63.03 cm3; (15)Molar Volume: 172.7 cm3; (16)Polarizability: 24.99×10-24 cm3; (17)Surface Tension: 78.8 dyne/cm; (18)Density: 1.564 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(N)c1ccc(NC(=O)/C=C\C(=O)O)cc1
(2) InChI: InChI=1/C10H10N2O5S/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15/h1-6H,(H,12,13)(H,14,15)(H2,11,16,17)/b6-5-
(3) InChIKey: XPUWNQCCZQOGTI-WAYWQWQTBA