2-But-3-enyl-4-methoxybenzoic acid
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Basic information
- CAS
81278-32-2- Standard SMILES
C=CCCc1cc(OC)ccc1C(=O)O- InChIKey
SJIUUFKNYXBKLK-UHFFFAOYSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.0942943
Names & identifiers
- Preferred name
- 2-But-3-enyl-4-methoxybenzoic acid
- IUPAC
- 2-but-3-enyl-4-methoxybenzoic acid
- English name
- 2-BUT-3-ENYL-4-METHOXYBENZOIC ACID
- Molecular formula
- C12H14O3
- Molecular weight
- 206.24
Names & synonyms
2-but-3-enyl-4-methoxybenzoic acid81278-32-22-(but-3-en-1-yl)-4-methoxybenzoic acidAE-477/25037002SCHEMBL14092931SBB093675
Database identifiers
- CAS
81278-32-2- PubChem CID
- 1712613
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
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Compound notes
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