Basic information
- CAS
124679-13-6- Standard SMILES
N#CC(=O)c1ccc2ccc3cccc4ccc1c2c34- InChIKey
ZTLVIFYLZSQPBL-UHFFFAOYSA-N- Molecular formula
- C18H9NO
- Average molar mass
- 255.3 g/mol
- Monoisotopic mass
- 255.06841391
Overview
used to derivatize carnitine prior to HPLC analysis; structure in first source
Names & identifiers
- Preferred name
- Pyrene-1-carbonylcyanide
- IUPAC
- pyrene-1-carbonyl cyanide
- English name
- pyrene-1-carbonylcyanide
- Molecular formula
- C18H9NO
- Molecular weight
- 255.27
Names & synonyms
Pyrene-1-carbonyl cyanide124679-13-6Pyrene-1-carbonylcyanideDTXSID30924902RefChem:177483DTXCID5013537341-Pyreneacetonitrile, alpha-oxo-alpha-Oxo-1-pyreneacetonitrileSCHEMBL70590951-Pyreneacetonitrile, α-oxo-
Database identifiers
- CAS
124679-13-6- PubChem CID
- 130232
- DTXSID
DTXSID30924902- Nikkaji
- J589.160D
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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