CAS No.75154-69-7,(S)-2-Aziridinecarboxylic Acid Methyl Ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	75154-69-7
Name:	(S)-2-Aziridinecarboxylic Acid Methyl Ester
Article Data:	21

Formula:	C₄H₇NO₂
Molecular Weight:	101.105
Synonyms:	2-Aziridinecarboxylicacid, methyl ester, (S)-;(S)-2-Aziridinecarboxylic acid methyl ester;Methyl(S)-2-aziridinecarboxylate;Methyl (2S)-aziridine-2-carboxylate;
Density:	1.164 g/cm³
Boiling Point:	117.92 °C at 760 mmHg
Flash Point:	25.118 °C
PSA:	48.24000
LogP:	-0.54000

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Specification

The 2-Aziridinecarboxylicacid, methyl ester, (2S)- with CAS registry number of 75154-69-7 is also called Methyl (2S)-aziridine-2-carboxylate. Its systematic name is called Methyl (2S)-aziridine-2-carboxylate.

Physical properties about this chemical are: (1) ACD/LogP: -1.08; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1; (4) ACD/LogD (pH 7.4): -1; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 3; (8) ACD/KOC (pH 7.4): 9; (9) #H bond acceptors: 3; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 48.24 Å²; (13) Index of Refraction: 1.454; (14) Molar Refractivity: 23.522 cm³; (15) Molar Volume: 86.885 cm³; (16) Polarizability: 9.325×10^-24 cm³; (17) Surface Tension: 35.624 dyne/cm; (18) Density: 1.164 g/cm³; (19) Flash Point: 25.118 °C; (20) Enthalpy of Vaporization: 35.617 kJ/mol; (21) Boiling Point: 117.92 °C at 760 mmHg; (22) Vapour Pressure: 17.058 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)[C@H]1NC1;
(2) InChI: InChI=1/C4H7NO2/c1-7-4(6)3-2-5-3/h3,5H,2H2,1H3/t3-/m0/s1;
(3) InChIKey: ZWCVDRJTYFIPIV-VKHMYHEABE;
(4) Std. InChI: InChI=1S/C4H7NO2/c1-7-4(6)3-2-5-3/h3,5H,2H2,1H3/t3-/m0/s1;
(5) Std. InChIKey: ZWCVDRJTYFIPIV-VKHMYHEASA-N