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2104-89-4

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Basic Information
CAS No.: 2104-89-4
Name: 2-AMINO-3-HYDROXY-PROPIONIC ACID METHYL ESTER
Article Data: 51
Molecular Structure:
Molecular Structure of 2104-89-4 (2-AMINO-3-HYDROXY-PROPIONIC ACID METHYL ESTER)
Formula: C4H9NO3
Molecular Weight: 119.12
Synonyms: 2-AMINO-3-HYDROXY-PROPIONIC ACID METHYL ESTER;Methyl 2-aMino-3-hydroxypropanoate
Density: 1.195g/cm3
Boiling Point: 234.7 °C at 760 mmHg
Flash Point: 95.8 °C
PSA: 72.55000
LogP: -0.82070
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Specification

The Methylserinat, with CAS registry number 2104-89-4, has the systematic name of methyl serinate. Besides this, it is also called 2-Amino-3-hydroxy-propionic acid methyl ester. And the chemical formula of this chemical is C4H9NO3.

Physical properties of Methylserinat: (1)ACD/LogP: -1.26; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 38.77 Å2; (7)Index of Refraction: 1.462; (8)Molar Refractivity: 27.38 cm3; (9)Molar Volume: 99.6 cm3; (10)Polarizability: 10.85×10-24cm3; (11)Surface Tension: 45.8 dyne/cm; (12)Density: 1.195 g/cm3; (13)Flash Point: 95.8 °C; (14)Enthalpy of Vaporization: 54.8 kJ/mol; (15)Boiling Point: 234.7 °C at 760 mmHg; (16)Vapour Pressure: 0.00953 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C(N)CO
(2)InChI: InChI=1/C4H9NO3/c1-8-4(7)3(5)2-6/h3,6H,2,5H2,1H3
(3)InChIKey: ANSUDRATXSJBLY-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C4H9NO3/c1-8-4(7)3(5)2-6/h3,6H,2,5H2,1H3
(5)Std. InChIKey: ANSUDRATXSJBLY-UHFFFAOYSA-N