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37572-23-9

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Basic Information
CAS No.: 37572-23-9
Name: 3-Amino-5-(4-methoxyphenyl)thiophene-2-carboxylic acid methyl ester
Article Data: 9
Molecular Structure:
Molecular Structure of 37572-23-9 (3-Amino-5-(4-methoxyphenyl)thiophene-2-carboxylic acid methyl ester)
Formula: C13H13NO3S
Molecular Weight: 263.317
Synonyms: Methyl3-amino-5-(4-methoxyphenyl)thiophene-2-carboxylate;3-Amino-5-(4-methoxyphenyl)thiophene-2-carboxylic acid methyl ester;
EINECS: 201-215-5
Density: 1.263 g/cm3
Melting Point: 187-190°C
Boiling Point: 472.1 °C at 760 mmHg
Flash Point: 239.3 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 89.79000
LogP: 3.37370
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Specification

The 3-Amino-5-(4-methoxyphenyl)thiophene-2-carboxylic acid methyl ester with the CAS number 37572-23-9 is also called 2-Thiophenecarboxylicacid, 3-amino-5-(4-methoxyphenyl)-, methyl ester. Both the systematic name and IUPAC name are methyl 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxylate. Its molecular formula is C13H13NO3S. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 3-Amino-5-(4-methoxyphenyl)thiophene-2-carboxylic acid methyl ester are: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.34; (4)ACD/LogD (pH 7.4): 3.34; (5)ACD/BCF (pH 5.5): 202.62; (6)ACD/BCF (pH 7.4): 202.65; (7)ACD/KOC (pH 5.5): 1558.55; (8)ACD/KOC (pH 7.4): 1558.74; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 67.01 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 71.91 cm3; (15)Molar Volume: 208.3 cm3; (16)Polarizability: 28.51×10-24cm3; (17)Surface Tension: 48.9 dyne/cm; (18)Enthalpy of Vaporization: 73.5 kJ/mol; (19)Vapour Pressure: 4.39×10-9 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c2sc(c1ccc(OC)cc1)cc2N
(2)InChI: InChI=1/C13H13NO3S/c1-16-9-5-3-8(4-6-9)11-7-10(14)12(18-11)13(15)17-2/h3-7H,14H2,1-2H3
(3)InChIKey: CBUIWNUZMRQRPZ-UHFFFAOYAG