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| CAS No.: | 67973-80-2 |
|---|---|
| Name: | methyl 3-amino-5-hydroxybenzoate |
| Molecular Structure: | |
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| Formula: | C8H9NO3 |
| Molecular Weight: | 167.164 |
| Synonyms: | 3-Hydroxy-5-aminobenzoicacid methyl ester;Methyl 3-amino-5-hydroxybenzoate; |
| Density: | 1.306 g/cm3 |
| Melting Point: | 124.5 °C |
| Boiling Point: | 376.446 °C at 760 mmHg |
| Flash Point: | 181.468 °C |
| PSA: | 72.55000 |
| LogP: | 1.34220 |
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- Total:20 Page 1 of 1 1
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Specification
The CAS register number of Benzoicacid, 3-amino-5-hydroxy-, methyl ester is 67973-80-2. It also can be called as Methyl 3-amino-5-hydroxybenzoate and the systematic name about this chemical is methyl 3-amino-5-hydroxybenzoate. The molecular formula about this chemical is C8H9NO3 and the molecular weight is 167.16196.
Physical properties about Benzoicacid, 3-amino-5-hydroxy-, methyl ester are: (1)ACD/LogP: 0.71; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 3; (5)ACD/BCF (pH 7.4): 3; (6)ACD/KOC (pH 5.5): 69; (7)ACD/KOC (pH 7.4): 68; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 72.55 Å2; (12)Index of Refraction: 1.606; (13)Molar Refractivity: 44.144 cm3; (14)Molar Volume: 128.036 cm3; (15)Polarizability: 17.5x10-24cm3; (16)Surface Tension: 57.759 dyne/cm; (17)Density: 1.306 g/cm3; (18)Flash Point: 181.468 °C; (19)Enthalpy of Vaporization: 64.856 kJ/mol; (20)Boiling Point: 376.446 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cc(cc(O)c1)C(=O)OC
(2)InChI: InChI=1/C8H9NO3/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4,10H,9H2,1H3
(3)InChIKey: DMNGQQIFOZYIRA-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H9NO3/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4,10H,9H2,1H3
(5)Std. InChIKey: DMNGQQIFOZYIRA-UHFFFAOYSA-N