Basic information
- CAS
68572-32-7- Standard SMILES
O=C(O)COc1ccc(C(=O)c2ccoc2)c2c1CCCC2- InChIKey
SLLADBFLQOYDTL-UHFFFAOYSA-N- Molecular formula
- C17H16O5
- Average molar mass
- 300.3 g/mol
- Monoisotopic mass
- 300.09977361
Names & identifiers
- Preferred name
- Acetic acid, ((4-(3-furanylcarbonyl)-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)-
- IUPAC
- 2-[[4-(furan-3-carbonyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
Names & synonyms
Acetic acid, ((4-(3-furanylcarbonyl)-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)-((4-(3-Furanylcarbonyl)-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)acetic acid68572-32-7DTXSID70218675RefChem:315957DTXCID20141166{[4-(Furan-3-carbonyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy}acetic acid
Database identifiers
- CAS
68572-32-7- PubChem CID
- 3052166
- DTXSID
DTXSID70218675
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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