Summary

IMPPAT Phytochemical identifier: IMPHY017910

Phytochemical name: 1,3-Butadiyne

Synonymous chemical names:
1,3-butadiyne

External chemical identifiers:
CID:9997, ChEBI:37820, ZINC:ZINC000253607909, FDASRS:6389J044O5, SureChEMBL:SCHEMBL93445

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Chemical structure information

SMILES:
C#CC#C

InChI:
InChI=1S/C4H2/c1-3-4-2/h1-2H

InChIKey:
LLCSWKVOHICRDD-UHFFFAOYSA-N

DeepSMILES:
C#CC#C

Functional groups:
C#CC#C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Acetylides

NP-Likeness score: 0.327

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Chemical structure download