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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 59856496Generated: October 25, 2026

methyl (2S)-2-isocyanato-3,3-dimethylbutanoate

https://huagongshe.com/en/chemical/59856496

methyl (2S)-2-isocyanato-3,3-dimethylbutanoate molecular structure

Identifiers & Physical Properties

Molecular formulaC8H13NO3
Average molar mass171.19 g/mol
Monoisotopic mass171.08954328 g/mol
SMILESCOC(=O)[C@@H](N=C=O)C(C)(C)C
InChIKeyKIWOXGRYRHPUQC-ZCFIWIBFSA-N
PubChem CID59856496

Chemical & Physical Properties

XLogP2.8
Topological polar surface area55.7
Hydrogen bond donors0
Hydrogen bond acceptors4
Rotatable bonds4
Heavy atoms12
Formal charge0
Complexity211