Benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;furan-2,5-dione;hexanedioic acid;propane-1,2-diol;tricyclo[5.2.1.02,6]deca-3,8-diene
Basic information
- CAS
68298-57-7- Standard SMILES
C1=CC2C3C=CC(C3)C2C1.CC(C)(CO)CO.CC(O)CO.O=C(O)CCCCC(=O)O.O=C(O)c1cccc(C(=O)O)c1.O=C1C=CC(=O)O1- InChIKey
LUVPOFLEYMIARA-UHFFFAOYSA-N- Molecular formula
- C36H50O15
- Average molar mass
- 722.8 g/mol
Names & identifiers
- Preferred name
- Benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;furan-2,5-dione;hexanedioic acid;propane-1,2-diol;tricyclo[5.2.1.02,6]deca-3,8-diene
- IUPAC
- benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;furan-2,5-dione;hexanedioic acid;propane-1,2-diol;tricyclo[5.2.1.02,6]deca-3,8-diene
- English name
- 1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, 2,5-furandione, hexanedioic acid, 1,2-propanediol and 3a,4,7,7a-tetrahydro-4,7-methano-1H-indene
- Molecular formula
- C36H50O15
- Molecular weight
- 722.7732
Names & synonyms
1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, 2,5-furandione, hexanedioic acid, 1,2-propanediol and 3a,4,7,7a-tetrahydro-4,7-methano-1H-indene
Database identifiers
- CAS
68298-57-7
Properties
Computed structural properties
- Topological polar surface area
- 273 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 10
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 699
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, 2,5-furandione, hexanedioic acid, 1,2-propanediol and 3a,4,7,7a-tetrahydro-4,7-methano-1H-indene (68298-57-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…