Basic information
- CAS
104699-06-1- Standard SMILES
O=C(O)C1(CCCCCCOc2ccc(Cl)cc2)CO1- InChIKey
NWSIRTXVYBEURF-UHFFFAOYSA-N- Molecular formula
- C15H19ClO4
- Average molar mass
- 298.76 g/mol
- Monoisotopic mass
- 298.0971868
Names & identifiers
- Preferred name
- 2-(6-(4-Chlorophenoxy)hexyl)oxirane-2-carboxylic acid
- IUPAC
- 2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylic acid
- English name
- 2-(6-(4-chlorophenoxy)hexyl)oxirane-2-carboxylic acid
- Molecular weight
- 0
Names & synonyms
2-(6-(4-Chlorophenoxy)hexyl)oxirane-2-carboxylic acid4-Cphoc104699-06-12-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylic acidDTXSID10909136B-827-33RefChem:84520DTXCID10872816124151-60-6B 827-33SCHEMBL6260778CHEMBL2216791
Show more names
2-[6-(4-chlorophenoxy) hexyl]-oxirane carboxylic acidOxiranecarboxylic acid, 2-(6-(4-chlorophenoxy)hexyl)-
Database identifiers
- CAS
104699-06-1- PubChem CID
- 1231
- DTXSID
DTXSID10909136- ChEMBL
CHEMBL2216791
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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