2-Methoxy-1-methylnaphthalene
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Basic information
- CAS
1130-80-9- Standard SMILES
COc1ccc2ccccc2c1C- InChIKey
CCGZULAQLJDPTD-UHFFFAOYSA-N- Molecular formula
- C12H12O
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.088815
Names & identifiers
- Preferred name
- 2-Methoxy-1-methylnaphthalene
- IUPAC
- 2-methoxy-1-methylnaphthalene
- English name
- Naphthalene, 2-Methoxy-1-Methyl-
- Molecular formula
- C12H12O
- Molecular weight
- 172.22
Names & synonyms
2-methoxy-1-methylnaphthalene1130-80-9Naphthalene, 2-methoxy-1-methyl-2-Methoxy-1-methyl-NaphthaleneSCHEMBL25204SCHEMBL252051-Methyl-naphthyl-methylatherSCHEMBL9164412SCHEMBL9739241SCHEMBL28957180AKOS004904538DB-060267
Database identifiers
- CAS
1130-80-9- PubChem CID
- 2749099
- Nikkaji
- J1.215.328G
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 205 °C · 205 °C
- Boiling point
- 281.6 · 281.6±9.0 °C(Predicted)
- Density
- 1.051 · 1.051±0.06 g/cm3(Predicted)
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Related reactions
3 records
Compound notes
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