CAS No.3403-47-2,5-AMINO-2-METHOXYBENZOIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3403-47-2
Name:	5-AMINO-2-METHOXYBENZOIC ACID
Article Data:	6

Formula:	C₈H₉NO₃
Molecular Weight:	167.164
Synonyms:	5-Amino-2-methoxybenzoic acid;5-Amino-o-anisic acid;3-Carboxy-4-methoxyaniline;o-Anisicacid, 5-amino- (7CI,8CI);
Density:	1.303 g/cm³
Melting Point:	165 °C
Boiling Point:	369.903 °C at 760 mmHg
Flash Point:	177.511 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	72.55000
LogP:	1.55680

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Specification

The Benzoic acid,5-amino-2-methoxy-, with the CAS registry number 3403-47-2, is also known as 5-Amino-o-anisic acid. This chemical's molecular formula is C₈H₉NO₃ and molecular weight is 167.16. What's more, its systematic name is 5-Amino-2-methoxybenzoic acid and it belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Aromatic Amino AcidsCarbonyl Compounds; C₈; Carboxylic Acids; Peptide Synthesis; Unnatural Amino Acid Derivatives. Besides, the product is harmful if swallowed.

Physical properties of Benzoic acid,5-amino-2-methoxy- are: (1)ACD/LogP: 0.32; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 72.55 Å²; (11)Index of Refraction: 1.604; (12)Molar Refractivity: 44.098 cm³; (13)Molar Volume: 128.245 cm³; (14)Polarizability: 17.482×10^-24cm³; (15)Surface Tension: 56.694 dyne/cm; (16)Density: 1.303 g/cm³; (17)Flash Point: 177.511 °C; (18)Enthalpy of Vaporization: 65.066 kJ/mol; (19)Boiling Point: 369.903 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(N)cc1C(O)=O
(2)InChI: InChI=1/C8H9NO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,9H2,1H3,(H,10,11)
(3)InChIKey: LWWPSEIFAKNPKQ-UHFFFAOYSA-N