Basic information
- Standard SMILES
CC(=O)c1cc(C(=O)O)ccc1OC(C)C- InChIKey
BUIHXCCPDBHYJZ-UHFFFAOYSA-N- Molecular formula
- C12H14O4
- Average molar mass
- 222.24 g/mol
Names & identifiers
- Preferred name
- 3-Acetyl-4-isopropoxybenzoic acid
- IUPAC
- 3-acetyl-4-propan-2-yloxybenzoic acid
- English name
- 3-acetyl-4-isopropoxybenzoic acid
- Molecular formula
- C12H14O4
- Molecular weight
- 222.24
Names & synonyms
3-acetyl-4-isopropoxybenzoic acid252901-49-83-acetyl-4-(propan-2-yloxy)benzoic acid3-acetyl-4-propan-2-yloxybenzoic acidMFCD22378267SCHEMBL58740153-acetyl-4-isopropoxybenzoicacid3-acetyl-4-isopropoxy-benzoic acidCKA90149AKOS027252701AS-43121DA-24364
Show more names
Benzoic acid, 3-acetyl-4-(1-methylethoxy)-
EN300-300826F473250Z2044822793
Database identifiers
- CAS
252901-49-8
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses3-Acetyl-4-isopropoxybenzoic Acid can be used as antiinflammatory and immunosuppresive agents.
Suppliers2 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
泰州同新生物医药科技有限公司0523-86818997 18652728585 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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