Basic information
- CAS
5656-50-8- Standard SMILES
O=C(O)c1ccc2cc3c(cc2c1)OCO3- InChIKey
DABGBTRNBKBSCO-UHFFFAOYSA-N- Molecular formula
- C12H8O4
- Average molar mass
- 216.19 g/mol
- Monoisotopic mass
- 216.04225873
Names & identifiers
- Preferred name
- 2H-Naphtho[2,3-D][1,3]dioxole-6-carboxylic acid
- IUPAC
- benzo[f][1,3]benzodioxole-6-carboxylic acid
Names & synonyms
5656-50-8SCHEMBL104169502H-NAPHTHO[2,3-D][1,3]DIOXOLE-6-CARBOXYLIC ACIDDTXSID70545034
Database identifiers
- CAS
5656-50-8- PubChem CID
- 13613643
- DTXSID
DTXSID70545034
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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