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CAS No.: | 21577-57-1 |
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Name: | 2-AMINO-4,6-DIMETHOXY-BENZOIC ACID |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C9H11NO4 |
Molecular Weight: | 197.191 |
Synonyms: | Anthranilicacid, 4,6-dimethoxy- (8CI);2-Amino-4,6-dimethoxybenzoic acid;4,6-Dimethoxyanthranilic acid; |
Density: | 1.295 g/cm3 |
Melting Point: | 120-125 °C |
Boiling Point: | 374.809 °C at 760 mmHg |
Flash Point: | 180.478 °C |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 81.78000 |
LogP: | 1.56540 |
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The 2-Amino-4,6-dimethoxybenzoic acid with the cas number 21577-57-1 is also called Benzoic acid,2-amino-4,6-dimethoxy-. Its molecular formula is C9H11NO4. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 19; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 81.78 Å2; (12)Index of Refraction: 1.582; (13)Molar Refractivity: 50.776 cm3; (14)Molar Volume: 152.248 cm3; (15)Polarizability: 20.129×10-24cm3; (16)Surface Tension: 51.866 dyne/cm; (17)Enthalpy of Vaporization: 65.643 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(c(c(c1)OC)C(=O)O)N
(2)InChI: InChI=1/C9H11NO4/c1-13-5-3-6(10)8(9(11)12)7(4-5)14-2/h3-4H,10H2,1-2H3,(H,11,12)
(3)InChIKey: HZBQKANLOSWJLU-UHFFFAOYAA