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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 2802425Generated: October 26, 2026

D-Alanine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)

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D-Alanine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1) molecular structure

Identifiers & Physical Properties

CAS No.41036-32-2
Molecular formulaC17H21NO5S
Average molar mass351.4 g/mol
SMILESC[C@@H](N)C(=O)OCc1ccccc1.Cc1ccc(S(=O)(=O)O)cc1
InChIKeyNWOPHJSSBMABBD-DDWIOCJRSA-N
PubChem CID2802425
EC No.255-185-2

Chemical & Physical Properties

Topological polar surface area115
Hydrogen bond donors2
Hydrogen bond acceptors6
Rotatable bonds5
Heavy atoms24
Formal charge0
Complexity371