4-(3,6-Dimethoxynaphthalen-2-yl)-4-oxobutanoic acid
Basic information
- CAS
28241-31-8- Standard SMILES
COc1ccc2cc(C(=O)CCC(=O)O)c(OC)cc2c1- InChIKey
VQCVHEYGWUEAQY-UHFFFAOYSA-N- Molecular formula
- C16H16O5
- Average molar mass
- 288.29 g/mol
- Monoisotopic mass
- 288.09977361
Names & identifiers
- Preferred name
- 4-(3,6-Dimethoxynaphthalen-2-yl)-4-oxobutanoic acid
- IUPAC
- 4-(3,6-dimethoxynaphthalen-2-yl)-4-oxobutanoic acid
Names & synonyms
28241-31-84-(3,6-dimethoxynaphthalen-2-yl)-4-oxobutanoic acid3-(3,6-DIMETHOXY-2-NAPHTHOYL)PROPANOIC ACIDSCHEMBL7828046DTXSID40402988
Database identifiers
- CAS
28241-31-8- PubChem CID
- 4411809
- DTXSID
DTXSID40402988
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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