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71501-30-9

Basic Information
CAS No.: 71501-30-9
Name: 3-amino-2-chloro-3-oxopropionic acid
Molecular Structure:
Molecular Structure of 71501-30-9 (3-amino-2-chloro-3-oxopropionic acid)
Formula: C3H4ClNO3
Molecular Weight: 137.52176
Synonyms: 3-Amino-2-chloro-3-oxopropionic acid;
EINECS: 275-559-9
Density: 1.613 g/cm3
Boiling Point: 388.7 °C at 760 mmHg
Flash Point: 188.9 °C
PSA: 81.38000
LogP: 0.31340
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  • 3-AMINO-2-CHLORO-3-OXOPROPANOIC ACID

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    3-AMINO-2-CHLORO-3-OXOPROPANOIC ACID

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    3-AMINO-2-CHLORO-3-OXOPROPANOIC ACIDAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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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