5-Allyl-2-hydroxy-3-methoxybenzoic acid
Basic information
- CAS
2216-99-1- Standard SMILES
C=CCc1cc(OC)c(O)c(C(=O)O)c1- InChIKey
DBXLLKFZSNRRLF-UHFFFAOYSA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.07355886
Names & identifiers
- Preferred name
- 5-Allyl-2-hydroxy-3-methoxybenzoic acid
- IUPAC
- 2-hydroxy-3-methoxy-5-prop-2-enylbenzoic acid
- English name
- 2-Hydroxy-3-methoxy-5-(2-propenyl)benzoic acid
- Molecular formula
- C11H12O4
- Molecular weight
- 208.21
Names & synonyms
5-Allyl-2-hydroxy-3-methoxybenzoic acid2216-99-12-hydroxy-3-methoxy-5-prop-2-enylbenzoic acid2-Hydroxy-3-methoxy-5-(prop-2-en-1-yl)benzoic acidSCHEMBL10627084SCHEMBL30374450DTXSID406030195-Allyl-2-hydroxy-3-methoxybenzoicacid2-Hydroxy-3-methoxy-5-(2-propenyl)benzoic acidBenzoic acid, 2-hydroxy-3-methoxy-5-(2-propen-1-yl)-
Database identifiers
- CAS
2216-99-1- PubChem CID
- 20152500
- DTXSID
DTXSID40603019- Nikkaji
- J137.964J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Boiling point
- 361.2 · 361.2±42.0 °C(Predicted)
- Density
- 1.233 · 1.233±0.06 g/cm3(Predicted)
- pka
- 3.13 · 3.13±0.14(Predicted)
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Compound notes
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