Basic information
- CAS
77809-94-0- Standard SMILES
CC1=C(C=O)/C(=C\C=O)[C@@H](O)C1- InChIKey
LNQULPWLMXVCMW-NOKZVFQSSA-N- Molecular formula
- C9H10O3
- Average molar mass
- 166.17 g/mol
- Monoisotopic mass
- 166.06299418
Names & identifiers
- Preferred name
- 1-Cyclopentene-1-carboxaldehyde, 4-hydroxy-2-methyl-5-(oxoethylidene)-, (4S,5E)-
- IUPAC
- (4S,5E)-4-hydroxy-2-methyl-5-(2-oxoethylidene)cyclopentene-1-carbaldehyde
Names & synonyms
1-Cyclopentene-1-carboxaldehyde, 4-hydroxy-2-methyl-5-(oxoethylidene)-, (4S,5E)-77809-94-0
Database identifiers
- CAS
77809-94-0- PubChem CID
- 6440596
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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