Mls000737170
Basic information
- CAS
6203-91-4- Standard SMILES
C=CCOc1ccnc(-c2ccccc2)n1- InChIKey
TZXVVKAADCAVOK-UHFFFAOYSA-N- Molecular formula
- C13H12N2O
- Average molar mass
- 212.25 g/mol
- Monoisotopic mass
- 212.09496301
Names & identifiers
- Preferred name
- Mls000737170
- IUPAC
- 2-phenyl-4-prop-2-enoxypyrimidine
Names & synonyms
MLS0007371706203-91-4DTXSID90293343RefChem:357084DTXCID60244483NSC88811CHEMBL1550424HMS2885I24NSC-88811SMR0005284002-Phenyl-4-[(prop-2-en-1-yl)oxy]pyrimidine
Database identifiers
- CAS
6203-91-4- PubChem CID
- 259159
- DTXSID
DTXSID90293343- ChEMBL
CHEMBL1550424
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 214
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Related reactions
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Compound notes
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