主记录
QUININONE
- CAS
- 84-31-1
- PubChem CID
- 10041815
- SMILES
- COC1=CC2=C(C=CN=C2C=C1)C(=O)[C@H]3CC4CCN3CC4C=C
- 分子式
- C20H22N2O2
- 分子量
- 322.408
- 精确分子量
- 322.1681
- InChI
- InChI=1S/C20H22N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19H,1,7,9-10,12H2,2H3/t13?,14?,19-/m1/s1
- InChIKey
- SRFCUPVBYYAMIL-SVGDTCPJSA-N
- LogP
- 3.3225
- TPSA
- 42.43
名称与别名
- QUININONE
- UNII-956671AJG7
- C20H22N2O2
- (8alpha)-6'-methoxycinchonan-9-on
- EINECS 201-524-4
- NSC 15307
- (8alpha)-6'-Methoxycinchonan-9-one
- C20-H22-N2-O2
- (8-alpha)-6'-Methoxycinchonan-9-one
- CID10041815
- Cinchonan-9-one, 6'-methoxy-, (8alpha)-
- 84-31-1