Cas no 81920-95-8 (2-Propenoic acid,3-[3,8-dimethyl-5-(1-methylethyl)-1-azulenyl]-)
81920-95-8 structure
Product Name:2-Propenoic acid,3-[3,8-dimethyl-5-(1-methylethyl)-1-azulenyl]-
CAS No:81920-95-8
MF:C18H20O2
MW:268.350205421448
CID:708226
PubChem ID:53427006
Update Time:2025-04-19
2-Propenoic acid,3-[3,8-dimethyl-5-(1-methylethyl)-1-azulenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid,3-[3,8-dimethyl-5-(1-methylethyl)-1-azulenyl]-
- (2E)-3-(5-isopropyl-3,8-dimethylazulen-1-yl)acrylic acid
- 3-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)prop-2-enoic acid
- 81920-95-8
- DTXSID20699415
- 3-[3,8-Dimethyl-5-(propan-2-yl)azulen-1-yl]prop-2-enoic acid
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- Inchi: 1S/C18H20O2/c1-11(2)14-6-5-12(3)18-15(7-8-17(19)20)9-13(4)16(18)10-14/h5-11H,1-4H3,(H,19,20)
- InChI Key: MYXGGCXNUTVSIR-UHFFFAOYSA-N
- SMILES: OC(C=CC1=CC(C)=C2C=C(C=CC(C)=C21)C(C)C)=O
Computed Properties
- Exact Mass: 268.146
- Monoisotopic Mass: 268.146
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 372
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 37.3A^2
- XLogP3: 4.7
2-Propenoic acid,3-[3,8-dimethyl-5-(1-methylethyl)-1-azulenyl]- Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
81920-95-8 (2-Propenoic acid,3-[3,8-dimethyl-5-(1-methylethyl)-1-azulenyl]-) Related Products
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