Basic information
- CAS
53019-27-5- Standard SMILES
OCCC#CC#CC(O)(c1ccccc1)c1ccccc1- InChIKey
OTOSWEYSLQJYBG-UHFFFAOYSA-N- Molecular formula
- C19H16O2
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.11502975
Names & identifiers
- Preferred name
- 2,4-Heptadiyne-1,7-diol, 1,1-diphenyl-
- IUPAC
- 1,1-diphenylhepta-2,4-diyne-1,7-diol
Names & synonyms
2,4-HEPTADIYNE-1,7-DIOL, 1,1-DIPHENYL-BRN 06661741,1-Diphenyl-2,4-heptadiyne-1,7-diol53019-27-5DTXSID50201065RefChem:246734DTXCID501235561,1-diphenylhepta-2,4-diyne-1,7-diolST028645
Database identifiers
- CAS
53019-27-5- PubChem CID
- 40602
- DTXSID
DTXSID50201065
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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