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7691-28-3

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Basic Information
CAS No.: 7691-28-3
Name: (S)-methyl-2-bromo-3-hydroxypropanoate
Article Data: 15
Molecular Structure:
Molecular Structure of 7691-28-3 ((S)-methyl-2-bromo-3-hydroxypropanoate)
Formula: C4H7BrO3
Molecular Weight: 183.002
Synonyms: (S)-methyl-2-bromo-3-hydroxypropanoate
Density: 1.677 g/cm3
Boiling Point: 245.043 °C at 760 mmHg
Flash Point: 101.998 °C
PSA: 46.53000
LogP: -0.08480
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Specification

The (S)-methyl-2-bromo-3-hydroxypropanoate is an organic compound with the formula C4H7BrO3. With the CAS registry number 7691-28-3, the systematic name of this chemical is methyl 2-bromo-3-hydroxypropanoate.

Physical properties about (S)-methyl-2-bromo-3-hydroxypropanoate are: (1)ACD/LogP: -0.11; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 46.53 Å2; (6)Index of Refraction: 1.491; (7)Molar Refractivity: 31.581 cm3; (8)Molar Volume: 109.109 cm3; (9)Polarizability: 12.52×10-24cm3; (10)Surface Tension: 44.798 dyne/cm; (11)Density: 1.677 g/cm3; (12)Flash Point: 101.998 °C; (13)Enthalpy of Vaporization: 56.022 kJ/mol; (14)Boiling Point: 245.043 °C at 760 mmHg; (15)Vapour Pressure: 0.005 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC(C(=O)OC)CO
(2)InChI: InChI=1/C4H7BrO3/c1-8-4(7)3(5)2-6/h3,6H,2H2,1H3
(3)InChIKey: GVXAFLUDYYQGCG-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C4H7BrO3/c1-8-4(7)3(5)2-6/h3,6H,2H2,1H3
(5)Std. InChIKey: GVXAFLUDYYQGCG-UHFFFAOYSA-N