Completing data — usually done within a minute
Basic information
- CAS
18672-07-6- Standard SMILES
CCOC(=O)C(C)(C)Oc1ccc(C#N)cc1- InChIKey
CXAFOUVBWLSQHX-UHFFFAOYSA-N- Molecular formula
- C13H15NO3
- Average molar mass
- 233.26 g/mol
- Monoisotopic mass
- 233.10519334
Names & identifiers
- Preferred name
- Propanoic acid, 2-(4-cyanophenoxy)-2-methyl-, ethyl ester
- IUPAC
- ethyl 2-(4-cyanophenoxy)-2-methylpropanoate
Names & synonyms
Ethyl 2-(4-cyanophenoxy)-2-methylpropanoate18672-07-6BRN 3095814Propanoic acid, 2-(4-cyanophenoxy)-2-methyl-, ethyl esterDTXSID90171935RefChem:374712DTXCID7094426SCHEMBL4692295CXAFOUVBWLSQHX-UHFFFAOYSA-NDA-08887ethyl (4-cyanophenoxy)-2-methylpropionateethyl 2-(4-cyanophenoxy)-2-methylpropionate
Show more names
Ethyl 2-[(4-cyanophenyl)oxy]-2-methylpropanoate
Database identifiers
- CAS
18672-07-6- PubChem CID
- 205808
- DTXSID
DTXSID90171935
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 308
Related reactions
15 records
Compound notes
Loading…