CAS No.148627-84-3,(2,5-Dioxopyrrolidin-1-yl) 2-oxochromene-3-carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	148627-84-3
Name:	(2,5-Dioxopyrrolidin-1-yl) 2-oxochromene-3-carboxylate
Article Data:	3

Formula:	C₁₄H₉NO₆
Molecular Weight:	287.229
Synonyms:	2,5-Pyrrolidinedione,1-[[(2-oxo-2H-1-benzopyran-3-yl)carbonyl]oxy]- (9CI);Secca ester;coumarin-3-carboxylic acid succinimidyl ester;1-{[(2-Oxo-2H-chromen-3-yl)carbonyl]oxy}pyrrolidine-2,5-dione;
Density:	1.56g/cm³
Boiling Point:	491°Cat760mmHg
Flash Point:	250.7°C
PSA:	93.89000
LogP:	0.95170

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Specification

The (2,5-Dioxopyrrolidin-1-yl) 2-oxochromene-3-carboxylate, with the cas registry number 148627-84-3, has the systematic name of 1-{[(2-oxo-2H-chromen-3-yl)carbonyl]oxy}pyrrolidine-2,5-dione and it is also called Secca ester. The molecular formula of the chemical is C₁₄H₉NO₆.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.13; (4)ACD/LogD (pH 7.4): 0.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27.97; (8)ACD/KOC (pH 7.4): 27.97; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 89.98 Å²; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 67.21 cm³; (15)Molar Volume: 183.5 cm³; (16)Polarizability: 26.64×10^-24cm³; (17)Surface Tension: 72.2 dyne/cm; (18)Density: 1.56 g/cm³; (19)Flash Point: 250.7 °C; (20)Enthalpy of Vaporization: 75.76 kJ/mol; (21)Boiling Point: 491 °C at 760 mmHg; (22)Vapour Pressure: 8.72E-10 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C3N(OC(=O)C\1=C\c2c(OC/1=O)cccc2)C(=O)CC3
(2)InChI: InChI=1/C14H9NO6/c16-11-5-6-12(17)15(11)21-14(19)9-7-8-3-1-2-4-10(8)20-13(9)18/h1-4,7H,5-6H2
(3)InChIKey: NTXGVUJAUMMHQO-UHFFFAOYAD