Basic information
- Standard SMILES
COC(=O)c1ccc2cc(C(=O)OC)ccc2c1.OCCCCO- InChIKey
FXENSWIRHOGYIO-UHFFFAOYSA-N- Molecular formula
- C18H22O6
- Average molar mass
- 334.4 g/mol
Names & identifiers
- Preferred name
- Butane-1,4-diol;dimethyl naphthalene-2,6-dicarboxylate
- IUPAC
- butane-1,4-diol;dimethyl naphthalene-2,6-dicarboxylate
- English name
- 2,6-Naphthalenedicarboxylic acid, dimethyl ester, polymer with 1,4-butanediol
- Molecular formula
- C18H22O6
- Molecular weight
- 334.37
Names & synonyms
Dimethyl 2,6-naphthalenedicarboxylate polymer with 1,4-butanediol2,6-Naphthalenedicarboxylic acid, dimethyl ester, polymer with 1,4-butanediol
Database identifiers
- CAS
30424-90-9
Properties
Computed structural properties
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- EPA Substance Registry System
- 2 · 2,6-Naphthalenedicarboxylic acid, 2,6-dimethyl ester, polymer with 1,4-butanediol (30424-90-9)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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