3-[2-(Acetyloxy)phenyl]prop-2-ynoic acid
Basic information
- CAS
61547-40-8- Standard SMILES
CC(=O)Oc1ccccc1C#CC(=O)O- InChIKey
VNTTUKKQHLADDG-UHFFFAOYSA-N- Molecular formula
- C11H8O4
- Average molar mass
- 204.18 g/mol
- Monoisotopic mass
- 204.04225873
Names & identifiers
- Preferred name
- 3-[2-(Acetyloxy)phenyl]prop-2-ynoic acid
- IUPAC
- 3-(2-acetyloxyphenyl)prop-2-ynoic acid
Names & synonyms
61547-40-8NSC2894983-[2-(Acetyloxy)phenyl]prop-2-ynoic acidDTXSID70314868NSC-289498
Database identifiers
- CAS
61547-40-8- PubChem CID
- 324346
- DTXSID
DTXSID70314868
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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