Naphthalene-1,4,5-tricarboxylic acid
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Basic information
- CAS
3803-20-1- Standard SMILES
O=C(O)c1ccc(C(=O)O)c2c(C(=O)O)cccc12- InChIKey
DDHQTWZKAJOZQL-UHFFFAOYSA-N- Molecular formula
- C13H8O6
- Average molar mass
- 260.2 g/mol
- Monoisotopic mass
- 260.03208797
Names & identifiers
- Preferred name
- Naphthalene-1,4,5-tricarboxylic acid
- IUPAC
- naphthalene-1,4,5-tricarboxylic acid
- English name
- 3-FLUORO-4-METHOXYANILINE HYDROCHLORIDE
- Molecular formula
- C7H9ClFNO
- Molecular weight
- 0
Names & synonyms
28445-09-2Naphthalene-1,4,5-tricarboxylic acid1,4,5-Naphthalenetricarboxylic acidCBDivE_012279SCHEMBL2830679SCHEMBL3903646SCHEMBL29904701SCHEMBL31401789DTXSID409589901,4,5-naphthalene tricarboxylic acidAKOS0005930283-FLUORO-4-METHOXYANILINE HYDROCHLORIDE
Database identifiers
- CAS
3803-20-1- PubChem CID
- 789239
- DTXSID
DTXSID40958990- Nikkaji
- J28.868C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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