Cas no 64813-10-1 (16,17-didehydro-falcarindiol)
16,17-didehydro-falcarindiol structure
Product Name:16,17-didehydro-falcarindiol
CAS No:64813-10-1
MF:C17H22O2
MW:258.355385303497
CID:2040609
PubChem ID:1446
Update Time:2025-04-21
16,17-didehydro-falcarindiol Chemical and Physical Properties
Names and Identifiers
-
- 16,17-didehydro-falcarindiol
- dehydrofalcarindiol
- heptadeca-1,9,16-triene-4,6-diyne-3,8-diol
- heptadeca-1,9,16-trien-4,6-diyne-3,8-diol
- 64813-10-1
- DTXSID201270553
-
- Inchi： 1S/C17H22O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h3-4,10,14,16-19H,1-2,5-9H2
- InChI Key： OLUQMFYBNOJBQQ-UHFFFAOYSA-N
- SMILES： OC(C#CC#CC(C=C)O)C=CCCCCCC=C
Computed Properties
- Exact Mass: 258.161979940g/mol
- Monoisotopic Mass: 258.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 9
- Complexity: 419
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3.9
- Topological Polar Surface Area: 40.5?2
16,17-didehydro-falcarindiol Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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