Name: 2-IMIDAZOLIDONE-4-CARBOXYLIC ACID
SKU: 41371-53-3

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Basic Information

Molecular Structure:
CAS No.:	41371-53-3
Name:	2-IMIDAZOLIDONE-4-CARBOXYLIC ACID
Article Data:	4

Formula:	C₄H₆N₂O₃
Molecular Weight:	130.103
Synonyms:	4-Imidazolidinecarboxylic acid, 2-oxo-, (S)-;
Density:	1.453 g/cm³
Melting Point:	184-186 °C (dec.)(lit.)
Boiling Point:	570.8 °C at 760 mmHg
Flash Point:	299 °C
PSA:	78.43000
LogP:	-0.59000

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Specification

The 4-Imidazolidinecarboxylicacid, 2-oxo-, (4S)-, with the CAS registry number of 41371-53-3, is also known as 4-Imidazolidinecarboxylic acid, 2-oxo-, (S)-. Its molecular formula is C₄H₆N₂O₃ and molecular weight is 130.102040. What's more, its IUPAC name is (4S)-2-Oxoimidazolidine-4-carboxylic acid.

Physical properties about the 4-Imidazolidinecarboxylicacid, 2-oxo-, (4S)- are: (1)ACD/LogP: -1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.73; (4)ACD/LogD (pH 7.4): -5.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 49.85 Å²; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 26.76 cm³; (15)Molar Volume: 89.5 cm³; (16)Surface Tension: 53.7 dyne/cm; (17)Density: 1.453 g/cm³; (18)Flash Point: 299 °C; (19)Enthalpy of Vaporization: 93.55 kJ/mol; (20)Boiling Point: 570.8 °C at 760 mmHg; (21)Vapour Pressure: 1.62E-14 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@H]1NC(=O)NC1
(2) InChI: InChI=1/C4H6N2O3/c7-3(8)2-1-5-4(9)6-2/h2H,1H2,(H,7,8)(H2,5,6,9)/t2-/m0/s1
(3) InChIKey: KZKRPYCBSZIQKN-REOHCLBHBX