3-Isopropoxy-4-methoxybenzoic acid
Basic information
- CAS
159783-29-6- Standard SMILES
COc1ccc(C(=O)O)cc1OC(C)C- InChIKey
RWEWUTIPMKOWRT-UHFFFAOYSA-N- Molecular formula
- C11H14O4
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.08920892
Names & identifiers
- Preferred name
- 3-Isopropoxy-4-methoxybenzoic acid
- IUPAC
- 4-methoxy-3-propan-2-yloxybenzoic acid
- English name
- 3-ISOPROPOXY-4-METHOXYBENZOIC ACID
- Molecular formula
- C11H14O4
- Molecular weight
- 210.23
Names & synonyms
3-Isopropoxy-4-methoxybenzoic acid159783-29-64-methoxy-3-propan-2-yloxybenzoic acidBenzoic acid, 4-methoxy-3-(1-methylethoxy)-MFCD008310644-methoxy-3-(propan-2-yloxy)benzoic acidMaybridge1_005105Oprea1_170964SCHEMBL3924278HMS556A01DTXSID40371524RWEWUTIPMKOWRT-UHFFFAOYSA-N
Show more names
4-Methoxy-3-[(prop-2-yl)oxy]benzoic acid, 4-Carboxy-2-isopropoxyanisole
3-isopropoxy-4-methoxy-benzoic acidSBB094336AKOS000167747PS-31694-methoxy-3-(methylethoxy)benzoic acid3-ISOPROPOXY-4-METHOXYBENZOICACIDCS-02062364-Methoxy-3-[(propan-2-yl)oxy]benzoic acid
Database identifiers
- CAS
159783-29-6- PubChem CID
- 2736680
- DTXSID
DTXSID40371524
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Boiling point
- 323.3 · 323.3±22.0 °C(Predicted)
- Density
- 1.146 · 1.146±0.06 g/cm3(Predicted)
- form
- Powder
- pka
- 4.37 · 4.37±0.10(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P310+P330-P305+P351+P338-P337+P313-P405-P501
- HS Code
- 2918999090 · 2918999090
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
- hs_code
- 2918999090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H319
- Precautionary statements
- P264-P270-P280-P301+P310+P330-P305+P351+P338-P337+P313-P405-P501
Related reactions
1 records
Compound notes
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