Benzoicacid, 4-(2,5-dioxo-1-pyrrolidinyl)-, ethyl ester supplier

Name
ETHYL 4-(2,5-DIOXOTETRAHYDRO-1H-PYRROL-1-YL)BENZOATE
EINECS
CAS No. 92634-76-9
Article Data2
CAS DataBase
Density 1.292g/cm³
Solubility
Melting Point 158℃
Formula C₁₃H₁₃NO₄
Boiling Point 490.3 °C at 760 mmHg
Molecular Weight 247.25
Flash Point 250.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms ETHYL 4-(2,5-DIOXO-1-PYRROLIDINYL)BENZENECARBOXYLATE;ETHYL 4-(2,5-DIOXOTETRAHYDRO-1H-PYRROL-1-YL)BENZOATE;N-(4-ETHOXYCARBONYLPHENYL)SUCCINIMIDE
PSA 63.68000
LogP 1.58170

Benzoicacid, 4-(2,5-dioxo-1-pyrrolidinyl)-, ethyl ester Specification

The Benzoicacid, 4-(2,5-dioxo-1-pyrrolidinyl)-, ethyl ester, with CAS registry number 92634-76-9, has the systematic name of ethyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate. Its molecular weight is 247.25. And the chemical formula of this chemical is C₁₃H₁₃NO₄.

Physical properties of Benzoicacid, 4-(2,5-dioxo-1-pyrrolidinyl)-, ethyl ester: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.5; (4)ACD/LogD (pH 7.4): 0.5; (5)ACD/BCF (pH 5.5): 1.41; (6)ACD/BCF (pH 7.4): 1.41; (7)ACD/KOC (pH 5.5): 44.47; (8)ACD/KOC (pH 7.4): 44.47; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 63.68 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 63.12 cm³; (15)Molar Volume: 191.3 cm³; (16)Polarizability: 25.02×10^-24cm³; (17)Surface Tension: 52.4 dyne/cm; (18)Density: 1.292 g/cm³; (19)Flash Point: 250.3 °C; (20)Enthalpy of Vaporization: 75.68 kJ/mol; (21)Boiling Point: 490.3 °C at 760 mmHg; (22)Vapour Pressure: 9.27E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1ccc(cc1)N2C(=O)CCC2=O
(2)InChI: InChI=1/C13H13NO4/c1-2-18-13(17)9-3-5-10(6-4-9)14-11(15)7-8-12(14)16/h3-6H,2,7-8H2,1H3
(3)InChIKey: BGNSWUCREVARSU-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C13H13NO4/c1-2-18-13(17)9-3-5-10(6-4-9)14-11(15)7-8-12(14)16/h3-6H,2,7-8H2,1H3
(5)Std. InChIKey: BGNSWUCREVARSU-UHFFFAOYSA-N

Product Name

ETHYL 4-(2,5-DIOXOTETRAHYDRO-1H-PYRROL-1-YL)BENZOATE

Benzoicacid, 4-(2,5-dioxo-1-pyrrolidinyl)-, ethyl ester Specification

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