4-(Nonyloxycarbonyl)-1,2-benzenedicarboxylic anhydride - CAS 33975-30-3
Catalog: |
BB053607 |
Product Name: |
4-(Nonyloxycarbonyl)-1,2-benzenedicarboxylic anhydride |
CAS: |
33975-30-3 |
Synonyms: |
1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride, nonyl ester |
IUPAC Name: | nonyl 1,3-dioxo-2-benzofuran-5-carboxylate |
Molecular Weight: | 318.4 |
Molecular Formula: | C18H22O5 |
Canonical SMILES: | CCCCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)OC2=O |
InChI: | InChI=1S/C18H22O5/c1-2-3-4-5-6-7-8-11-22-16(19)13-9-10-14-15(12-13)18(21)23-17(14)20/h9-10,12H,2-8,11H2,1H3 |
InChI Key: | CQARFTDKXPFBIO-UHFFFAOYSA-N |
Complexity: | 431 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 318.1467238 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 318.1467238 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 69.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.1 |
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