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625-40-1

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Basic Information
CAS No.: 625-40-1
Name: 3-chloroacrylic acid
Molecular Structure:
Molecular Structure of 625-40-1 (3-chloroacrylic acid)
Formula: C3H3ClO2
Molecular Weight: 106.509
Synonyms: Acrylicacid, 3-chloro- (6CI,7CI,8CI);3-Chloroacrylic acid;3-Chloropropenoic acid;b-Chloroacrylic acid;
Density: 1.371 g/cm3
Boiling Point: 192.3 °C at 760 mmHg
Flash Point: 70.1 °C
PSA: 37.30000
LogP: 0.82350
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Specification

This chemical is called 3-Chloroacrylic acid, and its CAS registry number is 625-40-1. With the molecular formula of C3H3ClO2, its molecular weight is 106.51.

Other characteristics of the 3-Chloroacrylic acid can be summarised as followings: (1)ACD/LogP: 0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.37; (4)ACD/LogD (pH 7.4): -3; (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: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 22.41 cm3; (15)Molar Volume: 77.6 cm3; (16)Polarizability: 8.88×10-24cm3; (17)Surface Tension: 43 dyne/cm; (18)Density: 1.371 g/cm3; (19)Flash Point: 70.1 °C; (20)Enthalpy of Vaporization: 47.23 kJ/mol; (21)Boiling Point: 192.3 °C at 760 mmHg; (22)Vapour Pressure: 0.216 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Cl[C@H]=CC(=O)O
2.InChI: InChI=1/C3H3ClO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1+
3.InChIKey: MHMUCYJKZUZMNJ-OWOJBTEDBE