Cas no 54146-66-6 (2-Propenoic acid, 2-methyl-, 2-hydroxyheptyl ester)
54146-66-6 structure
Product Name:2-Propenoic acid, 2-methyl-, 2-hydroxyheptyl ester
CAS No:54146-66-6
MF:C11H20O3
MW:200.274703979492
CID:355329
PubChem ID:20455347
Update Time:2025-04-19
2-Propenoic acid, 2-methyl-, 2-hydroxyheptyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 2-methyl-, 2-hydroxyheptyl ester
- 2-hydroxyheptyl 2-methylprop-2-enoate
- Methacrylic acid (2-hydroxyheptyl) ester
- 54146-66-6
- SCHEMBL11051294
- DTXSID10607387
-
- Inchi： 1S/C11H20O3/c1-4-5-6-7-10(12)8-14-11(13)9(2)3/h10,12H,2,4-8H2,1,3H3
- InChI Key： HZLWTIZAQDDERP-UHFFFAOYSA-N
- SMILES： OC(COC(C(=C)C)=O)CCCCC
Computed Properties
- Exact Mass: 200.1413
- Monoisotopic Mass: 200.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 8
- Complexity: 187
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
2-Propenoic acid, 2-methyl-, 2-hydroxyheptyl ester Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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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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