AC1O579A
benzene-1,3-dicarboxylic acid;butane-1,4-diol;2,3-dimethylterephthalic acid;nonanedioic acid
Also Known As: (C10-H10-O4.C9-H16-O4.C8-H6-O4.C4-H10-O2)x-|Benzene-1,3-dicarboxylic Acid; Butane-1,4-diol; 2,3-dimethylterephthalic Acid; Nonanedioic Acid|1,3-Benzenedicarboxylic acid, polymer with 1,4-butanediol, 1,4-dimethyl 1,4-benzenedicarboxylate and nonanedioic acid|1,3-Benzenedicarboxylic acid, polymer with 1,4-butanediol, dimethyl 1,4-benzenedicarboxylate and nonanedioic acid|1,3-Benzenedicarboxylic acid, polymer with 1,4-butanediol, dimethyl1,4-benzenedicarboxylate and nonanedioic acid|1,4-Benzenedicarboxylic acid, dimethyl ester, 1,3-benzenedicarboxylic acid, 1,4-butanediol, nonanedioic acid polymer
| Molecular Formula | C31H42O14 |
|---|---|
| Molecular Weight | 638.25745 g/mol |
| LogP | 4.42034 |
| Topological Polar Surface Area | 264.26 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 638.25745 |
| Monoisotopic Mass | 638.25745 |
| Heavy Atoms | 45 |
| Complexity | 1162.595 |
Chemical Identifiers
| CAS Number | 56528-99-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1C)C(=O)O)C(=O)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCCC(=O)O)CCCC(=O)O.C(CCO)CO |
Product Overview
AC1O579A (CAS 56528-99-5), with molecular formula C31H42O14 and molecular weight 638.25745 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;butane-1,4-diol;2,3-dimethylterephthalic acid;nonanedioic acid.
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