3-Butoxy-4-(phenylamino)-3-cyclobutene-1,2-dione
Basic information
- CAS
42132-10-5- Standard SMILES
CCCCOc1c(Nc2ccccc2)c(=O)c1=O- InChIKey
HTOMEYNJZXNEHW-UHFFFAOYSA-N- Molecular formula
- C14H15NO3
- Average molar mass
- 245.27 g/mol
- Monoisotopic mass
- 245.10519334
Names & identifiers
- Preferred name
- 3-Butoxy-4-(phenylamino)-3-cyclobutene-1,2-dione
- IUPAC
- 3-anilino-4-butoxycyclobut-3-ene-1,2-dione
Names & synonyms
3-Butoxy-4-(phenylamino)-3-cyclobutene-1,2-dioneDTXSID60123826242132-10-53-Anilino-4-butoxycyclobut-3-ene-1,2-dione
Database identifiers
- CAS
42132-10-5- PubChem CID
- 15257707
- DTXSID
DTXSID601238262
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 367
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Compound notes
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