CAS No.16404-94-7,(S)-(-)-4-OXO-2-AZETIDINECARBOXYLIC ACID Suppliers

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Basic Information

CAS No.:

16404-94-7

Name:

(S)-(-)-4-OXO-2-AZETIDINECARBOXYLIC ACID

Article Data:

Molecular Structure:

Formula:

C₄H₅NO₃

Molecular Weight:

115.089

Synonyms:

2-Azetidinecarboxylicacid, 4-oxo-, (S)-;2-Azetidinecarboxylic acid, 4-oxo-, L- (8CI);(2S)-4-Oxoazetidine-2-carboxylic acid;(S)-4-Oxoazetidine-2-carboxylic acid;

Density:

1.519 g/cm³

Melting Point:

99-102 °C

Boiling Point:

489.4 °C at 760 mmHg

Flash Point:

249.8 °C

Hazard Symbols:

Risk Codes:

22-36

Safety:

WGK Germany

PSA:

66.40000

LogP:

-0.71170

Total:33 Page 1 of 1 1

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Specification

The (S)-(-)-4-Oxo-2-azetidinecarboxylic acid, with the cas registry number 16404-94-7, has the systematic name of (2S)-4-oxoazetidine-2-carboxylic acid. It belongs to the following product categories: Chiral Building Blocks; Lactams; Organic Building Blocks. And the molecular formula of the chemical is C₄H₅NO₃.

The characteristics of this chemical are as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 66.4 Å²; (10)Index of Refraction: 1.53; (11)Molar Refractivity: 23.42 cm³; (12)Molar Volume: 75.7 cm³; (13)Polarizability: 9.28×10^-24cm³; (14)Surface Tension: 63.8 dyne/cm; (15)Density: 1.519 g/cm³; (16)Flash Point: 249.8 °C; (17)Enthalpy of Vaporization: 82.76 kJ/mol; (18)Boiling Point: 489.4 °C at 760 mmHg; (19)Vapour Pressure: 6.44E-11 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(=O)[C@@H]1CC(=O)N1
(2)InChI: InChI=1/C4H5NO3/c6-3-1-2(5-3)4(7)8/h2H,1H2,(H,5,6)(H,7,8)/t2-/m0/s1
(3)InChIKey: YSPMLLKKKHCTBN-REOHCLBHBS