4-(6-Methoxynaphthalen-1-yl)-4-oxobutanoic acid
Basic information
- CAS
81336-20-1- Standard SMILES
COc1ccc2c(C(=O)CCC(=O)O)cccc2c1- InChIKey
UPNMFPDHXXSUBH-UHFFFAOYSA-N- Molecular formula
- C15H14O4
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.08920892
Names & identifiers
- Preferred name
- 4-(6-Methoxynaphthalen-1-yl)-4-oxobutanoic acid
- IUPAC
- 4-(6-methoxynaphthalen-1-yl)-4-oxobutanoic acid
Names & synonyms
4-(6-methoxynaphthalen-1-yl)-4-oxobutanoic acid81336-20-1Propionic acid, 3-(6-methoxy-1-naphthoyl)-NSC148873DTXSID501001929NSC-148873
Database identifiers
- CAS
81336-20-1- PubChem CID
- 288140
- DTXSID
DTXSID501001929
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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