CAS No.102936-05-0,(S)-(-)-2-(PHENYLCARBAMOYLOXY)PROPIONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	102936-05-0
Name:	(S)-(-)-2-(PHENYLCARBAMOYLOXY)PROPIONIC ACID
Article Data:	2

Formula:	C₁₀H₁₁NO₄
Molecular Weight:	209.20
Synonyms:	Propanoicacid, 2-[[(phenylamino)carbonyl]oxy]-, (S)-;
Density:	1.3±0.1 g/cm³
Melting Point:	150 °C (dec.)(lit.)
Boiling Point:	324.7±25.0 °C at 760 mmHg
Flash Point:	150.2±23.2 °C
Appearance:	white to off-white crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	75.63000
LogP:	1.78120

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Specification

The (S)-2-[(Phenylamino)carbonyloxy]propionic acid, with the CAS registry number 102936-05-0, is also known as Propanoicacid, 2-[[(phenylamino)carbonyl]oxy]-, (S)-. This chemical's molecular formula is C₁₀H₁₁NO₄ and molecular weight is 209.20. What's more, its systematic name is (2S)-2-[(Phenylcarbamoyl)oxy]propanoic acid.

Physical properties of (S)-2-[(Phenylamino)carbonyloxy]propionic acid are: (1)ACD/LogP: 1.75±0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.06; (4)ACD/LogD (pH 7.4): -1.96; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 75.63 Å²; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 53.1±0.3 cm³; (15)Molar Volume: 156.9±3.0 cm³; (16)Polarizability: 21.0±0.5×10^-24cm³; (17)Surface Tension: 56.1±3.0 dyne/cm; (18)Density: 1.3±0.1 g/cm³; (19)Flash Point: 150.2±23.2 °C; (20)Enthalpy of Vaporization: 59.8±3.0 kJ/mol; (21)Boiling Point: 324.7±25.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±0.7 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@@H](C(=O)O)OC(=O)NC1=CC=CC=C1
(2)Std. InChI: InChI=1S/C10H11NO4/c1-7(9(12)13)15-10(14)11-8-5-3-2-4-6-8/h2-7H,1H3,(H,11,14)(H,12,13)/t7-/m0/s1
(3)Std. InChIKey: HYIHYWQSOXTJFS-ZETCQYMHSA-N