Cas no 5130-56-3 (1,2-Benzenediol, 3-(8,11-heptadecadienyl)-)
5130-56-3 structure
Product Name:1,2-Benzenediol, 3-(8,11-heptadecadienyl)-
CAS No:5130-56-3
MF:C23H36O2
MW:344.530747413635
CID:336320
PubChem ID:71442314
Update Time:2025-04-19
1,2-Benzenediol, 3-(8,11-heptadecadienyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediol, 3-(8,11-heptadecadienyl)-
- 3-heptadeca-8,11-dienylbenzene-1,2-diol
- 3-(HEPTADECA-8,11-DIEN-1-YL)BENZENE-1,2-DIOL
- DTXSID60851212
- 5130-56-3
-
- Inchi： 1S/C23H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(24)23(21)25/h6-7,9-10,17,19-20,24-25H,2-5,8,11-16,18H2,1H3
- InChI Key： ALEDXSBPMQVUIV-UHFFFAOYSA-N
- SMILES： OC1C(=CC=CC=1CCCCCCCC=CCC=CCCCCC)O
Computed Properties
- Exact Mass: 344.271530387g/mol
- Monoisotopic Mass: 344.271530387g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 25
- Rotatable Bond Count: 14
- Complexity: 348
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 8.5
- Topological Polar Surface Area: 40.5?2
1,2-Benzenediol, 3-(8,11-heptadecadienyl)- Related Literature
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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