Basic information
- Standard SMILES
COCOc1c(C(=O)O)ccc2c1CCCC2- InChIKey
HUAYVQCXFXHXNO-UHFFFAOYSA-N- Molecular formula
- C13H16O4
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.10485899
Names & identifiers
- Preferred name
- 1-Methoxymethoxy-5,6,7,8-tetrahydro-naphthalene-2-carboxylic acid
- IUPAC
- 1-(methoxymethoxy)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
Names & synonyms
SCHEMBL3932327HUAYVQCXFXHXNO-UHFFFAOYSA-N1-methoxymethoxy-5,6,7,8-tetrahydro-naphthalene-2-carboxylic acid
Database identifiers
- PubChem CID
- 68844359
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Related reactions
2 records
Compound notes
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