2-Cyclopent-2-en-1-ylbutanedioic acid
Basic information
- CAS
1687-22-5- Standard SMILES
O=C(O)CC(C(=O)O)C1C=CCC1- InChIKey
USLAGXVECGOKQH-UHFFFAOYSA-N- Molecular formula
- C9H12O4
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.07355886
Names & identifiers
- Preferred name
- 2-Cyclopent-2-en-1-ylbutanedioic acid
- IUPAC
- 2-cyclopent-2-en-1-ylbutanedioic acid
Names & synonyms
1687-22-52-cyclopent-2-en-1-ylbutanedioic acidNSC167518DTXSID60304834NSC-1675182-(CYCLOPENT-2-EN-1-YL)BUTANEDIOIC ACID
Database identifiers
- CAS
1687-22-5- PubChem CID
- 296946
- DTXSID
DTXSID60304834
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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