7-Phenyl-2,4,6-heptatriyn-1-ol
Completing data — refresh the page later to see the latest
Basic information
- CAS
60214-15-5- Standard SMILES
OCC#CC#CC#Cc1ccccc1- InChIKey
OBLAWABLSMUERW-UHFFFAOYSA-N- Molecular formula
- C13H8O
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.05751487
Overview
structure given in first source
Names & identifiers
- Preferred name
- 7-Phenyl-2,4,6-heptatriyn-1-ol
- IUPAC
- 7-phenylhepta-2,4,6-triyn-1-ol
- English name
- 7-Phenyl-2,4,6-heptatriyn-1-ol
- Molecular formula
- C13H8O
- Molecular weight
- 180.2
Names & synonyms
7-Phenyl-2,4,6-heptatriyn-1-ol7-phenylhepta-2,4,6-triyn-1-ol60214-15-51-Phenylhepta-1,3,5-triyn-7-olDTXSID80208966RefChem:106543DTXCID301314571-Phtyo2,4,6-Heptatriyn-1-ol, 7-phenyl-SCHEMBL9487985DB-318348
Database identifiers
- CAS
60214-15-5- PubChem CID
- 3085176
- DTXSID
DTXSID80208966- Nikkaji
- J2.257.227J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…