CAS No.59338-84-0,methyl 4-amino-5-nitro-o-anisate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	59338-84-0
Name:	methyl 4-amino-5-nitro-o-anisate
Article Data:	6

Formula:	C₉H₁₀N₂O₅
Molecular Weight:	226.189
Synonyms:	Benzoic acid, 4-amino-2-methoxy-5-nitro-, methyl ester;
EINECS:	261-703-8
Density:	1.367 g/cm³
Boiling Point:	429 °C at 760 mmHg
Flash Point:	213.2 °C
PSA:	118.37000
LogP:	1.98820

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Specification

The 4-Amino-2-methoxy-5-nitrobenzoic acid, with the CAS registry number of 59338-84-0, is also known as Benzoic acid, 4-amino-2-methoxy-5-nitro-, methyl ester. Its EINECS registry number is 261-703-8. This chemical's molecular formula is C₉H₁₀N₂O₅and molecular weight is 226.1861. What's more, both its systematic name and IUPAC name are the same which is called Methyl 4-amino-2-methoxy-5-nitrobenzoate.

Physical properties about the 4-Amino-2-methoxy-5-nitrobenzoic acid are: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 2.19; (5)ACD/BCF (pH 5.5): 27.42; (6)ACD/BCF (pH 7.4): 27.42; (7)ACD/KOC (pH 5.5): 372.42; (8)ACD/KOC (pH 7.4): 372.42; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 84.59 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 55.48 cm³; (15)Molar Volume: 165.4 cm³; (16)Surface Tension: 54.7 dyne/cm; (17)Density: 1.367 g/cm³; (18)Flash Point: 213.2 °C; (19)Enthalpy of Vaporization: 68.42 kJ/mol; (20)Boiling Point: 429 °C at 760 mmHg; (21)Vapour Pressure: 1.45E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES:[O-][N+](=O)c1c(cc(OC)c(C(=O)OC)c1)N
(2) InChI:InChI=1/C9H10N2O5/c1-15-8-4-6(10)7(11(13)14)3-5(8)9(12)16-2/h3-4H,10H2,1-2H3
(3) InChIKey:CUJURECWKNETII-UHFFFAOYAB