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61505-41-7

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Basic Information
CAS No.: 61505-41-7
Name: (R)-3-CHLOROLACTIC ACID
Article Data: 1
Molecular Structure:
Molecular Structure of 61505-41-7 ((R)-3-CHLOROLACTIC ACID)
Formula: C3H5ClO3
Molecular Weight: 124.524
Synonyms: Propanoicacid, 3-chloro-2-hydroxy-, (R)-;(R)-3-Chloro-2-hydroxypropanoic acid;(R)-b-Chlorolactic acid;L-b-Chlorolactic acid;
Density: 1.519 g/cm3
Melting Point: 88-89 °C
Boiling Point: 259.5 °C at 760 mmHg
Flash Point: 110.8 °C
PSA: 57.53000
LogP: -0.32930
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Specification

The CAS registry number of Propanoic acid,3-chloro-2-hydroxy-, (2R)- is 61505-41-7. This chemical is also named as (R)-3-Chlorolactic acid. In addition, its molecular formula is C3H5ClO3 and molecular weight is 124.52. Its systematic name and IUPAC name are the same which is called (2R)-3-chloro-2-hydroxypropanoic acid.

Physical properties about Propanoic acid,3-chloro-2-hydroxy-, (2R)- are: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.82; (4)ACD/LogD (pH 7.4): -3.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.493; (13)Molar Refractivity: 23.85 cm3; (14)Molar Volume: 81.9 cm3; (15)Surface Tension: 57.7 dyne/cm; (16)Density: 1.519 g/cm3; (17)Flash Point: 110.8 °C; (18)Enthalpy of Vaporization: 57.75 kJ/mol; (19)Boiling Point: 259.5 °C at 760 mmHg; (20)Vapour Pressure: 0.00188 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC[C@H](O)C(=O)O
(2)InChI: InChI=1/C3H5ClO3/c4-1-2(5)3(6)7/h2,5H,1H2,(H,6,7)/t2-/m0/s1
(3)InChIKey: OSLCJYYQMKPZHU-REOHCLBHBW