Cas no 918639-45-9 (Benzaldehyde, 2,4-dihydroxy-6-(1E,3E)-1,3-pentadien-1-yl-)
918639-45-9 structure
Product Name:Benzaldehyde, 2,4-dihydroxy-6-(1E,3E)-1,3-pentadien-1-yl-
CAS No:918639-45-9
MF:C12H12O3
MW:204.221883773804
CID:772323
PubChem ID:71426631
Update Time:2025-04-19
Benzaldehyde, 2,4-dihydroxy-6-(1E,3E)-1,3-pentadien-1-yl- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 2,4-dihydroxy-6-(1E,3E)-1,3-pentadien-1-yl-
- 2,4-dihydroxy-6-penta-1,3-dienylbenzaldehyde
- 918639-45-9
- 2,4-Dihydroxy-6-(penta-1,3-dien-1-yl)benzaldehyde
- DTXSID30845385
-
- Inchi： 1S/C12H12O3/c1-2-3-4-5-9-6-10(14)7-12(15)11(9)8-13/h2-8,14-15H,1H3
- InChI Key： OCJOUESZDWTZOX-UHFFFAOYSA-N
- SMILES： OC1=CC(=CC(C=CC=CC)=C1C=O)O
Computed Properties
- Exact Mass: 204.078644241g/mol
- Monoisotopic Mass: 204.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 258
- 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: 2.9
- Topological Polar Surface Area: 57.5?2
Benzaldehyde, 2,4-dihydroxy-6-(1E,3E)-1,3-pentadien-1-yl- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
918639-45-9 (Benzaldehyde, 2,4-dihydroxy-6-(1E,3E)-1,3-pentadien-1-yl-) Related Products
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