Benzoic acid,4-(2-oxo-1-pyrrolidinyl)- supplier

Name
4-(2-OXO-PYRROLIDIN-1-YL)-BENZOIC ACID
EINECS
CAS No. 36151-44-7
Article Data12
CAS DataBase
Density 1.341 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₁NO₃
Boiling Point 507.1 °C at 760 mmHg
Molecular Weight 205.213
Flash Point 260.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoicacid, p-(2-oxo-1-pyrrolidinyl)- (6CI);1-(4-Carboxyphenyl)pyrrolidin-2-one;4-(2-Oxo-1-pyrrolidinyl)benzoic acid;4-(2-Oxopyrrolidin-1-yl)benzoic acid;
PSA 57.61000
LogP 1.57660

Benzoic acid,4-(2-oxo-1-pyrrolidinyl)- Specification

The Benzoic acid,4-(2-oxo-1-pyrrolidinyl)-, with the CAS registry number 36151-44-7, is also known as 1-(4-Carboxyphenyl)pyrrolidin-2-one. This chemical's molecular formula is C₁₁H₁₁NO₃ and molecular weight is 205.21. What's more, its systematic name is 4-(2-Oxopyrrolidin-1-yl)benzoic acid.

Physical properties of Benzoic acid,4-(2-oxo-1-pyrrolidinyl)- are: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 5.98; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 46.61 Å²; (11)Index of Refraction: 1.616; (12)Molar Refractivity: 53.51 cm³; (13)Molar Volume: 152.9 cm³; (14)Polarizability: 21.21×10^-24cm³; (15)Surface Tension: 60.3 dyne/cm; (16)Density: 1.341 g/cm³; (17)Flash Point: 260.5 °C; (18)Enthalpy of Vaporization: 81.83 kJ/mol; (19)Boiling Point: 507.1 °C at 760 mmHg; (20)Vapour Pressure: 4.17E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(cc1)N2C(=O)CCC2
(2)InChI: InChI=1/C11H11NO3/c13-10-2-1-7-12(10)9-5-3-8(4-6-9)11(14)15/h3-6H,1-2,7H2,(H,14,15)
(3)InChIKey: YDKWTEYRNMUJKC-UHFFFAOYSA-N

Product Name

4-(2-OXO-PYRROLIDIN-1-YL)-BENZOIC ACID

Benzoic acid,4-(2-oxo-1-pyrrolidinyl)- Specification

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