Benzoicacid, 3-amino-5-hydroxy-, methyl ester supplier

Name
methyl 3-amino-5-hydroxybenzoate
EINECS
CAS No. 67973-80-2
Article Data3
CAS DataBase
Density 1.306 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Hydroxy-5-aminobenzoicacid methyl ester;Methyl 3-amino-5-hydroxybenzoate;
PSA 72.55000
LogP 1.34220

Benzoicacid, 3-amino-5-hydroxy-, methyl ester 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

Product Name

methyl 3-amino-5-hydroxybenzoate

Benzoicacid, 3-amino-5-hydroxy-, methyl ester Specification

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