基本情報
- 標準SMILES
CC1(C)Oc2ccc(C#N)cc2C2OC21- InChIKey
HCYIWPLDKSWKGY-UHFFFAOYSA-N- 分子式
- C12H11NO2
- 平均分子量
- 201.22 g/mol
名称と識別子
- 優先名称
- 2,2-Dimethyl-3,4-epoxy-6-cyanochroman
- IUPAC
- 2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene-6-carbonitrile
名称と別名
2,2-dimethyl-3,4-epoxy-6-cyanochroman65018-90-82,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene-6-carbonitrile2,2-Dimethyl-1a,7b-dihydro-2H-oxireno[2,3-c]chromene-6-carbonitrile6-Cyano-2,2-dimethylchromene oxide114926-03-32,2-dimethyl-3,4-epoxy-6-cyano-3,4-dihydro-2H-chromeneSCHEMBL481900HCYIWPLDKSWKGY-UHFFFAOYSA-NAKOS000278536AKOS0407648306-cyano-2,2-dimethyl-3,4-epoxychroman
名称をさらに表示
6-cyano-2,2-dimethyl-3,4-epoxychromane2,2-dimethyl-3,4-epoxy-6-cyano-3,4-dihydro-2H-benzo[b]pyran6-cyano-3,4-dihydro-2,2-dimethyl-3,4-epoxy-2H-1-benzopyran6-cyano-3,4-dihydro-2,2-dimethyl-3,4-epoxy-2H-benzo[b]pyran6-cyano-3,4-epoxy-3,4 dihydro-2,2-dimethyl-2H-1-benzopyran6-Cyano-3,4-epoxy-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran6-cyano-3,4-epoxy-3,4-dihydro-2,2-dimethyl-2H-benzo[b]pyran6-cyano-3,4-epoxy-3,4-dihydro-2,2-dimethyl-2H-benzopyran
データベース識別子
- PubChem CID
- 10867360
- Nikkaji
- J1.686.399H
物性
構造計算による物性
- XLogP
- 1.5
- 極性表面積
- 45.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 0
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 330
関連反応
164 件
化合物ノート
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