Methyl 3-hydroxy-4-(prop-2-en-1-yl)naphthalene-2-carboxylate
Basic information
- CAS
57518-88-4- Standard SMILES
C=CCc1c(O)c(C(=O)OC)cc2ccccc12- InChIKey
MQDDEPWGLGIWKE-UHFFFAOYSA-N- Molecular formula
- C15H14O3
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.0942943
Names & identifiers
- Preferred name
- Methyl 3-hydroxy-4-(prop-2-en-1-yl)naphthalene-2-carboxylate
- IUPAC
- methyl 3-hydroxy-4-prop-2-enylnaphthalene-2-carboxylate
- English name
- 4-Allyl-3-hydroxy-2-naphthalenecarboxylic acid methyl ester
- Molecular formula
- C15H14O3
- Molecular weight
- 242.27
Names & synonyms
57518-88-4DTXSID80345224Methyl 3-hydroxy-4-(prop-2-en-1-yl)naphthalene-2-carboxylateRefChem:355043DTXCID902962982-Naphthalenecarboxylic acid, 3-hydroxy-4-(2-propenyl)-, methyl esterMQDDEPWGLGIWKE-UHFFFAOYSA-N4-Allyl-3-hydroxy-2-naphthalenecarboxylic acid methyl esterMethyl 4-allyl-3-hydroxy-2-naphthoate #DB-3054652-Naphthalenecarboxylic acid, 3-hydroxy-4-(2-propen-1-yl)-, methyl ester
Database identifiers
- CAS
57518-88-4- PubChem CID
- 602771
- DTXSID
DTXSID80345224- Nikkaji
- J131.978G
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Melting point
- 60 °C · 60 °C
- Boiling point
- 162 · 162-164 °C(Press: 0.4 Torr)
- Density
- 1.185 · 1.185±0.06 g/cm3(Predicted)
- pka
- 9.26 · 9.26±0.50(Predicted)
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Related reactions
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Compound notes
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