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N-Dichloroacetyl-DL-serine, sodium salt

HCID 178653142
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Basic information

CAS
89886-11-3
Standard SMILES
O=C(NC(CO)C(=O)O)C(Cl)Cl.[Na]
InChIKey
FMVABAFANZWIFQ-UHFFFAOYSA-N
Molecular formula
C5H7Cl2NNaO4
Average molar mass
239.01 g/mol
Monoisotopic mass
237.9649824

Names & identifiers

Preferred name
N-Dichloroacetyl-DL-serine, sodium salt
English name
DICHLOROACETYL-DL-SERINE SODIUM SALT
Molecular formula
C5H7Cl2NO4.Na
Molecular weight
239.01

Names & synonyms

N-DICHLOROACETYL-DL-SERINE, SODIUM SALTDICHLOROACETYL-DL-SERINE SODIUM SALTSerine, N-(dichloroacetyl)-, sodium salt

Database identifiers

CAS
89886-11-3
PubChem CID
126960126

Properties

Computed structural propertiesFilling in

Topological polar surface area
86.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
13
Formal charge
0
Complexity
184

Physicochemical properties

Melting point
182 · 182-184 °C(Solvent: Water)

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