Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- O=C1C2OC2C(=O)C2C3C=CC(C3)C12
- InChIKey
- CDIVHOHRKOWDBQ-UHFFFAOYSA-N
- 分子式
- C11H10O3
- 平均分子量
- 190.19 g/mol
- 单同位素质量
- 190.06299418
COMPUTED
结构计算性质
- XLogP
- 0.4
- 极性表面积
- 46.7 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 0
- 重原子
- 14
- 形式电荷
- 0
- 复杂度
- 350
ALIASES
名称与别名
2435-32-71a,2a,3,6,6a,7a-hexahydro-3,6-methanonaphtho[2,3-b]oxirene-2,7-dione5-OXATETRACYCLO[7.2.1.0(2,8).0(4,6)]DODEC-10-ENE-3,7-DIONE5-Oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene-3,7-dione2A,3,6,6a-tetrahydro-3,6-methanonaphtho[2,3-b]oxirene-2,7(1aH,7aH)-dione15052-12-7CDIVHOHRKOWDBQ-UHFFFAOYSA-NNSC266035SCHEMBL4460510DTXSID60947200RCL S18903RCL S63976RCL S644845-oxatetracyclo[7.2.1.0~2,8~.0~4,6~]dodec-10-ene-3,7-dioneSBB091108STK5273013,6-Methanonaphth[2,3-b]oxirene-2,7-dione,1a,2a,3,6,6a,7a-hexahydro-AKOS001031827NSC-266035CS-0270783
REACTIONS
参与反应
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