Basic information
- CAS
90967-43-4- Standard SMILES
O=C(O)c1ccc(C(=O)O)cc1.O=C(O)c1ccc(O)cc1.O=C(O)c1ccc2cc(O)ccc2c1.Oc1ccc(O)cc1- InChIKey
BSAXQBKDUFXQHE-UHFFFAOYSA-N- Molecular formula
- C32H26O12
- Average molar mass
- 602.5 g/mol
- Monoisotopic mass
- 602.14242626
Names & identifiers
- Preferred name
- Benzene-1,4-diol;4-hydroxybenzoic acid;6-hydroxynaphthalene-2-carboxylic acid;terephthalic acid
- IUPAC
- benzene-1,4-diol;4-hydroxybenzoic acid;6-hydroxynaphthalene-2-carboxylic acid;terephthalic acid
- English name
- 1,4-Benzenediol polymer with 1,4-benzenedicarboxylic acid, 4-hydroxybenzoic acid and 6-hydroxy-2-naphthalenecarboxylic acid
- Molecular formula
- C32H26O12
- Molecular weight
- 602.55
Names & synonyms
1,4-Benzenediol polymer with 1,4-benzenedicarboxylic acid, 4-hydroxybenzoic acid and 6-hydroxy-2-naphthalenecarboxylic acid
Database identifiers
- CAS
90967-43-4- PubChem CID
- 170852176
Properties
Computed structural properties
- Topological polar surface area
- 230 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 576
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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