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147316-32-3

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Basic Information
CAS No.: 147316-32-3
Name: L-Serine, 2-methyl-, methyl ester (9CI)
Article Data: 3
Molecular Structure:
Molecular Structure of 147316-32-3 (L-Serine, 2-methyl-, methyl ester (9CI))
Formula: C5H11NO3
Molecular Weight: 133.147
Synonyms: (S)-Methyl 2-amino-3-hydroxy-2-methylpropanoate;
Density: 1.15 g/cm3
Boiling Point: 238.58 °C at 760 mmHg
Flash Point: 98.09 °C
PSA: 72.55000
LogP: -0.43060
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Specification

The L-Serine, 2-methyl-,methyl ester, with the CAS registry number of 147316-32-3, is also known as (S)-Methyl 2-amino-3-hydroxy-2-methylpropanoate. It belongs to the product category of Glycinescaffold. Its molecular formula is C5H11NO3 and molecular weight is 133.14574. What's more, its systematic name is Methyl (2S)-2-amino-3-hydroxy-2-methyl-propanoate.

Physical properties about the L-Serine, 2-methyl-,methyl ester are: (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): 4.853; (6)#H bond acceptors: 4; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 72.55 Å2; (10)Index of Refraction: 1.465; (11)Molar Refractivity: 32.024 cm3; (12)Molar Volume: 115.783 cm3; (13)Surface Tension: 43.103 dyne/cm; (14)Density: 1.15 g/cm3; (15)Flash Point: 98.09 °C; (16)Enthalpy of Vaporization: 55.257 kJ/mol; (17)Boiling Point: 238.58 °C at 760 mmHg; (18)Vapour Pressure: 0.007 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C[C@](CO)(C(=O)OC)N
(2) InChI: InChI=1/C5H11NO3/c1-5(6,3-7)4(8)9-2/h7H,3,6H2,1-2H3/t5-/m0/s1
(3) InChIKey: VKHHAZQVRNQDHW-YFKPBYRVBI