CAS No.321674-73-1,2-[[(2E)-3-(2-NAPHTHALENYL)-1-OXO-2-BUTEN-1-YL]AMINO]BENZOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	321674-73-1
Name:	2-[[(2E)-3-(2-NAPHTHALENYL)-1-OXO-2-BUTEN-1-YL]AMINO]BENZOIC ACID
Article Data:	4

Formula:	C₂₁H₁₇NO₃
Molecular Weight:	331.36
Synonyms:	2-{[(2E)-3-Naphthalen-2-ylbut-2-enoyl]amino}benzoic acid;(E)-2-(3-(Naphthalen-2-yl)but-2-enamido)benzoic acid;
Density:	1.285 g/cm³
Boiling Point:	600.607 °C at 760 mmHg
Flash Point:	317.036 °C
PSA:	66.40000
LogP:	4.65300

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Specification

The BIBR 1532 is an organic compound with the formula C₂₁H₁₇NO₃. The systematic name of this chemical is 2-{[(2E)-3-Naphthalen-2-ylbut-2-enoyl]amino}benzoic acid. With the CAS registry number 321674-73-1, it is also named as (E)-2-(3-(Naphthalen-2-yl)but-2-enamido)benzoic acid. Besides, its molecular weight is 331.36.

The physical properties of BIBR 1532 are: (1)ACD/LogP: 5.05; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 66.4 Å²; (7)Index of Refraction: 1.698; (8)Molar Refractivity: 99.4 cm³; (9)Molar Volume: 257.886 cm³; (10)Polarizability: 39.405×10^-24 cm³; (11)Surface Tension: 59.29 dyne/cm; (12)Density: 1.285 g/cm³; (13)Flash Point: 317.036 °C; (14)Enthalpy of Vaporization: 94.003 kJ/mol; (15)Boiling Point: 600.607 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccccc1C(=O)O)\C=C(\c3cc2ccccc2cc3)C
(2)InChI: InChI=1/C21H17NO3/c1-14(16-11-10-15-6-2-3-7-17(15)13-16)12-20(23)22-19-9-5-4-8-18(19)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)/b14-12+
(3)InChIKey: PGFQXGLPJUCTOI-WYMLVPIEBI
(4)Std. InChI: InChI=1S/C21H17NO3/c1-14(16-11-10-15-6-2-3-7-17(15)13-16)12-20(23)22-19-9-5-4-8-18(19)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)/b14-12+
(5)Std. InChIKey: PGFQXGLPJUCTOI-WYMLVPIESA-N