Basic information
- CAS
62770-53-0- Standard SMILES
C=CCC12CCC(=O)C=C1CCCC2=O- InChIKey
HBBRHQLTEFRJFN-UHFFFAOYSA-N- Molecular formula
- C13H16O2
- Average molar mass
- 204.26 g/mol
- Monoisotopic mass
- 204.11502975
Names & identifiers
- Preferred name
- 1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-(2-propenyl)-
- IUPAC
- 8a-prop-2-enyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione
Names & synonyms
NSC66654762770-53-01,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-(2-propenyl)-DTXSID60333260HMS1704H02AKOS000618726AKOS030484904SR-01000310404SR-01000310404-18a-allyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione8a-Allyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione8a-(Prop-2-en-1-yl)-3,4,8,8a-tetrahydronaphthalene-1,6(2H,7H)-dione
Database identifiers
- CAS
62770-53-0- PubChem CID
- 495705
- DTXSID
DTXSID60333260- Nikkaji
- J3.718.399G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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