Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzoicacid, 3-amino-5-hydroxy-, methyl ester |
EINECS | N/A |
CAS No. | 67973-80-2 | Density | 1.306 g/cm3 |
PSA | 72.55000 | LogP | 1.34220 |
Solubility | N/A | Melting Point |
124.5 °C |
Formula | C8H9NO3 | Boiling Point | 376.446 °C at 760 mmHg |
Molecular Weight | 167.164 | Flash Point | 181.468 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Hydroxy-5-aminobenzoicacid methyl ester;Methyl 3-amino-5-hydroxybenzoate; |
Article Data | 3 |
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