Basic information
- CAS
68109-65-9- Standard SMILES
CCC(=O)OC1=C2C3CCC(C3)C2C=C1- InChIKey
MIXFYHGXLDJZDK-UHFFFAOYSA-N- Molecular formula
- C13H16O2
- Average molar mass
- 204.26 g/mol
- Monoisotopic mass
- 204.11502975
Names & identifiers
- Preferred name
- 4,7-Methano-1H-indenol, 3a,4,7,7a-tetrahydro-, propanoate
- IUPAC
- 3-tricyclo[5.2.1.02,6]deca-2,4-dienyl propanoate
- English name
- 3a,4,7,7a-tetrahydro-4,7-methano-1H-indenyl propionate
- Molecular formula
- C13H16O2
- Molecular weight
- 204.26494
Names & synonyms
EINECS 268-480-64,7-Methano-1H-indenol, 3a,4,7,7a-tetrahydro-, propanoateRefChem:9676968109-65-9Dicyclopentadienyl propionate3a,4,7,7a-Tetrahydro-4,7-methano-1H-indenyl propionate
Database identifiers
- CAS
68109-65-9- PubChem CID
- 109488
- EC Number
- 268-480-6
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- EPA Substance Registry System
- 4 · 4,7-Methano-1H-indenol, 3a,4,7,7a-tetrahydro-, propanoate (68109-65-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4,7-Methano-1H-indenol, 3a,4,7,7a-tetrahydro-, propanoate: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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