Aponucinecarboxylic acid
5-oxo-8-oxa-4,13-diazapentacyclo[9.7.0.02,7.03,16.013,17]octadec-10-ene-16-carboxylic acid
Also Known As: Aponucinecarboxylic acid|Hanssen's C16 acid|oxo[?]carboxylic acid|Aponucine carboxylic acid|NCI60_000698|2-oxo-1,2,3,3a,5,7a,8,8a,10,11,11b,11c-dodecahydro-11ah-7,9-methanooxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-11a-carboxylic acid|11AH-7,9-methanooxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-11a-carboxylic acid, 1,2,3,3a,5,7a,8,8a,10,11,11b,11c-dodecahydro-2-oxo-
| Molecular Formula | C16H20N2O4 |
|---|---|
| Molecular Weight | 304.1423 g/mol |
| LogP | -3.5 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 304.1423 |
| Monoisotopic Mass | 304.1423 |
| Heavy Atoms | 22 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 6879-60-3 |
|---|---|
| SMILES | C1CN2CC3=CCOC4CC(=O)NC5C4C3CC2C51C(=O)O |
| InChIKey | VDTLYVMJJHDZCX-UHFFFAOYSA-N |
Product Overview
Aponucinecarboxylic acid (CAS 6879-60-3), with molecular formula C16H20N2O4 and molecular weight 304.1423 g/mol. IUPAC: 5-oxo-8-oxa-4,13-diazapentacyclo[9.7.0.02,7.03,16.013,17]octadec-10-ene-16-carboxylic acid.
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