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CAS No.: | 114607-46-4 |
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Name: | Acitazanolast |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H7N5O3 |
Molecular Weight: | 233.19 |
Synonyms: | Aceticacid, oxo[[3-(1H-tetrazol-5-yl)phenyl]amino]- (9CI);3'-(1H-Tetrazol-5-yl)oxanilic acid;Acitazanolast;WP 871;Zepelin(bronchodilator); |
Density: | 1.66 g/cm3 |
Melting Point: | 241-243 °C (decomp) |
PSA: | 120.86000 |
LogP: | -0.03720 |
This chemical is called Acetic acid, 2-oxo-2-[[3-(2H-tetrazol-5-yl)phenyl]amino]-, and its systematic name is oxo{[3-(2H-tetrazol-5-yl)phenyl]amino}acetic acid. With the molecular formula of C9H7N5O3, its molecular weight is 233.19. The CAS registry number of this chemical is 114607-46-4.
Other characteristics of the Acetic acid, 2-oxo-2-[[3-(2H-tetrazol-5-yl)phenyl]amino]- can be summarised as followings: (1)ACD/LogP: 0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.04; (4)ACD/LogD (pH 7.4): -4.45; (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: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 90.21 Å2; (13)Index of Refraction: 1.718; (14)Molar Refractivity: 55.38 cm3; (15)Molar Volume: 140.4 cm3; (16)Polarizability: 21.95×10-24cm3; (17)Surface Tension: 103.8 dyne/cm; (18)Density: 1.66 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C(=O)Nc1cccc(c1)c2nnnn2
2.InChI: InChI=1/C9H7N5O3/c15-8(9(16)17)10-6-3-1-2-5(4-6)7-11-13-14-12-7/h1-4H,(H,10,15)(H,16,17)(H,11,12,13,14)
InChIKey:
VWQZJJZGISNFOE-UHFFFAOYAS