Cas no 2841-61-4 (Holadienine)
Holadienine structure
Product Name:Holadienine
CAS No:2841-61-4
MF:C22H31NO
MW:325.487646341324
CID:270981
Update Time:2024-03-01
Holadienine Chemical and Physical Properties
Names and Identifiers
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- Cona-1,4-dienin-3-one(8CI,9CI)
- 3-Oxo-1,4-conadienine
- 9H-Naphth[2',1':4,5]indeno[1,7a-c]pyrrole,cona-1,4-dienin-3-one deriv.
- Cona-1,4-dienine,3-oxo- (6CI)
- Holadienine (7CI)
- Holadienine
-
- Inchi： 1S/C22H31NO/c1-14-18-6-7-20-17-5-4-15-12-16(24)8-10-21(15,2)19(17)9-11-22(18,20)13-23(14)3/h8,10,12,14,17-20H,4-7,9,11,13H2,1-3H3/t14-,17+,18+,19-,20-,21-,22-/m0/s1
- InChI Key： PSOQPSXOOXHHBU-LJZXKFISSA-N
- SMILES： O=C1C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2CC[C@]23CN(C)[C@@H](C)[C@H]2CC[C@H]31
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 0
- Complexity: 648
- Topological Polar Surface Area: 20.3
- XLogP3: 4.898
Holadienine Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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