4-(2-Isopropoxyethoxy)benzoic acid
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Basic information
- CAS
246853-87-2- Standard SMILES
CC(C)OCCOc1ccc(C(=O)O)cc1- InChIKey
HGIXZCBBVHOKHZ-UHFFFAOYSA-N- Molecular formula
- C12H16O4
- Average molar mass
- 224.25 g/mol
Names & identifiers
- Preferred name
- 4-(2-Isopropoxyethoxy)benzoic acid
- IUPAC
- 4-(2-propan-2-yloxyethoxy)benzoic acid
- English name
- 4-(2-Isopropoxyethoxy)benzoic acid
- Molecular formula
- C12H16O4
- Molecular weight
- 224.25
Names & synonyms
4-(2-isopropoxyethoxy)benzoic acid246853-87-24-(2-propan-2-yloxyethoxy)benzoic acidMFCD098374464-[2-(propan-2-yloxy)ethoxy]benzoic acid4-(2-isopropoxyethoxy)benzoicacidALBB-005468AKOS000264217VS-10563H23857Benzoic acid, 4-[2-(1-methylethoxy)ethoxy]-
Database identifiers
- CAS
246853-87-2
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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