beta-Ethylidene-6-methoxy-alpha,alpha-dimethylnaphthalene-2-propionic acid
Basic information
- CAS
60533-05-3- Standard SMILES
CC=C(c1ccc2cc(OC)ccc2c1)C(C)(C)C(=O)O- InChIKey
ARMLYYXIJXARED-UHFFFAOYSA-N- Molecular formula
- C18H20O3
- Average molar mass
- 284.3 g/mol
- Monoisotopic mass
- 284.1412445
Names & identifiers
- Preferred name
- beta-Ethylidene-6-methoxy-alpha,alpha-dimethylnaphthalene-2-propionic acid
- IUPAC
- 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpent-3-enoic acid
- English name
- beta-ethylidene-6-methoxy-alpha,alpha-dimethylnaphthalene-2-propionic acid
- Molecular formula
- C18H20O3
- Molecular weight
- 284.35
Names & synonyms
60533-05-3beta-Ethylidene-6-methoxy-alpha,alpha-dimethylnaphthalene-2-propionic acidEINECS 262-282-33-(6-methoxynaphthalen-2-yl)-2,2-dimethylpent-3-enoic acidDTXSID60975947DB-318744NS00054646β-Ethylidene-6-methoxy-α,α-dimethyl-2-naphthalenepropanoic acid2-Naphthalenepropanoic acid, β-ethylidene-6-methoxy-α,α-dimethyl-
Database identifiers
- CAS
60533-05-3- PubChem CID
- 108471
- DTXSID
DTXSID60975947- EC Number
- 262-282-3
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Melting point
- 115 °C · 115 °C
- Boiling point
- 456.667 · 456.667±14.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.126 · 1.126±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.189 · 4.189±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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