Basic information
- CAS
6088-91-1- Standard SMILES
C#CC#CI- InChIKey
IUUUVWLBOCMKOY-UHFFFAOYSA-N- Molecular formula
- C4HI
- Average molar mass
- 175.95 g/mol
- Monoisotopic mass
- 175.9123
Names & identifiers
- Preferred name
- 1,3-Butadiyne, 1-iodo-
- IUPAC
- 1-iodobuta-1,3-diyne
Names & synonyms
1,3-Butadiyne, 1-iodo-6088-91-1DTXSID10209724RefChem:218153DTXCID601322151-iodobuta-1,3-diyneSCHEMBL13164232
Database identifiers
- CAS
6088-91-1- PubChem CID
- 138658
- DTXSID
DTXSID10209724- Nikkaji
- J1.443.541G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 112
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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