Propanoic acid,3-amino-2-chloro-3-oxo- supplier

Name
3-amino-2-chloro-3-oxopropionic acid
EINECS 275-559-9
CAS No. 71501-30-9
Density 1.613 g/cm³
Solubility
Melting Point
Formula C₃H₄ClNO₃
Boiling Point 388.7 °C at 760 mmHg
Molecular Weight 137.52176
Flash Point 188.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Amino-2-chloro-3-oxopropionic acid;
PSA 81.38000
LogP 0.31340

Propanoic acid,3-amino-2-chloro-3-oxo- Specification

The CAS registry number of Propanoic acid,3-amino-2-chloro-3-oxo- is 71501-30-9. This chemical is also named as 3-Amino-2-chloro-3-oxopropionic acid. Its EINECS registry number is 275-559-9. In addition, its molecular formula is C₃H₄ClNO₃ and molecular weight is 137.52176. Its systematic name and IUPAC name are the same which is called 3-amino-2-chloro-3-oxopropanoic acid.

Physical properties about Propanoic acid,3-amino-2-chloro-3-oxo- are: (1)ACD/LogP: -0.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.37; (4)ACD/LogD (pH 7.4): -4.59; (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: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.519; (13)Molar Refractivity: 25.88 cm³; (14)Molar Volume: 85.2 cm³; (15)Surface Tension: 66.2 dyne/cm; (16)Density: 1.613 g/cm³; (17)Flash Point: 188.9 °C; (18)Enthalpy of Vaporization: 70.03 kJ/mol; (19)Boiling Point: 388.7 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)C(Cl)C(=O)O
(2)InChI: InChI=1/C3H4ClNO3/c4-1(2(5)6)3(7)8/h1H,(H2,5,6)(H,7,8)
(3)InChIKey: WRTQHIZEMSJYQK-UHFFFAOYAI

Product Name

3-amino-2-chloro-3-oxopropionic acid

Propanoic acid,3-amino-2-chloro-3-oxo- Specification

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