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217314-47-1

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Basic Information
CAS No.: 217314-47-1
Name: METHYL 3-AMINO-5-METHOXYBENZOATE
Article Data: 9
Molecular Structure:
Molecular Structure of 217314-47-1 (METHYL 3-AMINO-5-METHOXYBENZOATE)
Formula: C9H11NO3
Molecular Weight: 181.191
Synonyms: 3-Amino-5-methoxybenzoicacid methyl ester;Methyl 3-amino-5-methoxybenzoate;
Density: 1.18 g/cm3
Boiling Point: 335.219 °C at 760 mmHg
Flash Point: 178.301 °C
PSA: 61.55000
LogP: 1.64520
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Specification

The Benzoic acid,3-amino-5-methoxy-, methyl ester, with the CAS registry number 217314-47-1, is also known as 3-Amino-5-methoxybenzoicacid methyl ester. This chemical's molecular formula is C9H11NO3 and molecular weight is 181.19. What's more, its systematic name is Methyl 3-amino-5-methoxybenzoate.

Physical properties of Benzoic acid,3-amino-5-methoxy-, methyl ester are: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 61.55 Å2; (7)Index of Refraction: 1.55; (8)Molar Refractivity: 48.941 cm3; (9)Molar Volume: 153.609 cm3; (10)Polarizability: 19.402×10-24 cm3; (11)Surface Tension: 43.559 dyne/cm; (12)Density: 1.18 g/cm3; (13)Flash Point: 178.301 °C; (14)Enthalpy of Vaporization: 57.825 kJ/mol; (15)Boiling Point: 335.219 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cc(OC)cc(N)c1
(2)InChI: InChI=1S/C9H11NO3/c1-12-8-4-6(9(11)13-2)3-7(10)5-8/h3-5H,10H2,1-2H3
(3)InChIKey: OWMZQNZFHGAVCN-UHFFFAOYSA-N