CAS No.54322-41-7,AC-SER-OME Suppliers

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Basic Information

Molecular Structure:
CAS No.:	54322-41-7
Name:	AC-SER-OME
Article Data:	16

Formula:	C₆H₁₁NO₄
Molecular Weight:	161.158
Synonyms:	N-Acetylserine methyl ester;
Density:	1.194 g/cm³
Boiling Point:	376.3 °C at 760 mmHg
Flash Point:	181.4 °C
PSA:	75.63000
LogP:	-0.95270

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Specification

The L-Serine, N-acetyl-,methyl ester, with the CAS registry number of 54322-41-7, is also known as N-Acetylserine methyl ester. Its molecular formula is C₆H₁₁NO₄ and molecular weight is 161.16. What's more, its systematic name is Methyl N-acetyl-L-serinate.

Physical properties about the L-Serine, N-acetyl-,methyl ester are: (1)ACD/LogP: -1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.43; (4)ACD/LogD (pH 7.4): -1.43; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.98; (8)ACD/KOC (pH 7.4): 3.98; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 36.73 cm³; (15)Molar Volume: 134.8 cm³; (16)Surface Tension: 41.6 dyne/cm; (17)Density: 1.194 g/cm³; (18)Flash Point: 181.4 °C; (19)Enthalpy of Vaporization: 72.18 kJ/mol; (20)Boiling Point: 376.3 °C at 760 mmHg; (21)Vapour Pressure: 3.33E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)[C@@H](NC(=O)C)CO
(2) InChI: InChI=1/C6H11NO4/c1-4(9)7-5(3-8)6(10)11-2/h5,8H,3H2,1-2H3,(H,7,9)/t5-/m0/s1
(3) InChIKey: ONUNDAQVOOLWTH-YFKPBYRVBE