2-Methyl-2-(1-naphthyloxy)propanoic acid
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Basic information
- CAS
30366-94-0- Standard SMILES
CC(C)(Oc1cccc2ccccc12)C(=O)O- InChIKey
WGXRLJQIXNXFSY-UHFFFAOYSA-N- Molecular formula
- C14H14O3
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.0942943
Names & identifiers
- Preferred name
- 2-Methyl-2-(1-naphthyloxy)propanoic acid
- IUPAC
- 2-methyl-2-naphthalen-1-yloxypropanoic acid
- English name
- 2-METHYL-2-(1-NAPHTHYLOXY)PROPANOIC ACID
- Molecular formula
- C14H14O3
- Molecular weight
- 230.26
Names & synonyms
2-methyl-2-(1-naphthyloxy)propanoic acid30366-94-02-methyl-2-(naphthalen-1-yloxy)propanoic acid2-methyl-2-naphthalen-1-yloxypropanoic acidMFCD03422279Propanoic acid, 2-methyl-2-(1-naphthalenyloxy)-2-methyl-2-naphthyloxypropanoic acidNSC184749Propanoic acid,2-methyl-2-(1-naphthalenyloxy)-Oprea1_066138Oprea1_873522MLS000063514
Show more names
SQ-11355α-[1]naphthyloxy-isobutyric acid2-Methyl-2-(1-naphtyloxy)propionic acid2-methyl-2-(1-naphthyloxy)propionic acid2-methyl-2-naphthalen-1-yloxy-propanoic acid2-methyl-2-(1-naphthyloxy)propanoic acid(SALTDATA: FREE)
SCHEMBL5822854CHEMBL1566717DTXSID60306959HMS2413B09ALBB-000902BBL014137SBB020806STK347171
Database identifiers
- CAS
30366-94-0- PubChem CID
- 302104
- DTXSID
DTXSID60306959- ChEMBL
CHEMBL1566717- Nikkaji
- J395.238J
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Melting point
- 127 · 127-130 °C
- Boiling point
- 392.8 · 392.8±15.0 °C(Predicted)
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- pka
- 4.85 · 4.85±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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