Basic information
- CAS
88737-62-6- Standard SMILES
O=C(O)COc1ccc(C2C=CCC2)cc1- InChIKey
NOFWTGTWDLFYGY-UHFFFAOYSA-N- Molecular formula
- C13H14O3
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.0942943
Names & identifiers
- Preferred name
- Acetic acid, (4-(2-cyclopenten-1-yl)phenoxy)-
- IUPAC
- 2-(4-cyclopent-2-en-1-ylphenoxy)acetic acid
Names & synonyms
BRN 4442919(4-(2-Cyclopenten-1-yl)phenoxy)acetic acidalpha-(p-(Cyclopent-2-en-1-yl)phenoxy)acetic acidACETIC ACID, (4-(2-CYCLOPENTEN-1-YL)PHENOXY)-88737-62-6RefChem:316236DTXSID901008341[4-(Cyclopent-2-en-1-yl)phenoxy]acetic acid
Database identifiers
- CAS
88737-62-6- PubChem CID
- 55846
- DTXSID
DTXSID901008341
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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