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3-Pyrrolidinecarboxylicacid, 1-(1-methylethyl)-5-oxo-

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Name

3-Pyrrolidinecarboxylicacid, 1-(1-methylethyl)-5-oxo-

EINECS N/A
CAS No. 299920-47-1 Density 1.217 g/cm3
PSA 57.61000 LogP 0.26580
Solubility N/A Melting Point N/A
Formula C8H13NO3 Boiling Point 358.3 °C at 760 mmHg
Molecular Weight 171.196 Flash Point 170.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 299920-47-1 (1-Isopropyl-5-oxo-pyrrolidine-3-carboxylic acid) Hazard Symbols N/A
Synonyms

1-Isopropyl-5-oxo-3-pyrrolidinecarboxylicacid;

Article Data 2

3-Pyrrolidinecarboxylicacid, 1-(1-methylethyl)-5-oxo- Specification

The CAS registry number of 3-Pyrrolidinecarboxylicacid, 1-(1-methylethyl)-5-oxo- is 299920-47-1. It belongs to the product category of Isopropyl. This chemical is also named as 1-Isopropyl-5-oxopyrrolidine-3-carboxylic acid. In addition, its molecular formula is C8H13NO3 and molecular weight is 171.1937. Its IUPAC name is called 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid.

Physical properties about 3-Pyrrolidinecarboxylicacid, 1-(1-methylethyl)-5-oxo- are: (1)ACD/LogP: -0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.35; (4)ACD/LogD (pH 7.4): -3.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.3; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.51; (13)Molar Refractivity: 42.11 cm3; (14)Molar Volume: 140.6 cm3; (15)Surface Tension: 48.1 dyne/cm; (16)Density: 1.217 g/cm3; (17)Flash Point: 170.5 °C; (18)Enthalpy of Vaporization: 66.32 kJ/mol; (19)Boiling Point: 358.3 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1CC(=O)N(C(C)C)C1
(2)InChI: InChI=1/C8H13NO3/c1-5(2)9-4-6(8(11)12)3-7(9)10/h5-6H,3-4H2,1-2H3,(H,11,12)
(3)InChIKey: YKWIPHFVESIOGN-UHFFFAOYAO

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