Cas no 820237-69-2 (Acetic acid, (6-formyl-2-methyl-3-propoxyphenoxy)-)
820237-69-2 structure
Product Name:Acetic acid, (6-formyl-2-methyl-3-propoxyphenoxy)-
CAS No:820237-69-2
MF:C13H16O5
MW:252.263144493103
CID:700609
PubChem ID:11448119
Update Time:2025-04-19
Acetic acid, (6-formyl-2-methyl-3-propoxyphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, (6-formyl-2-methyl-3-propoxyphenoxy)-
- 2-(6-formyl-2-methyl-3-propoxyphenoxy)acetic acid
- DTXSID00466228
- 820237-69-2
- SCHEMBL5446548
-
- Inchi： 1S/C13H16O5/c1-3-6-17-11-5-4-10(7-14)13(9(11)2)18-8-12(15)16/h4-5,7H,3,6,8H2,1-2H3,(H,15,16)
- InChI Key： PPDPMLHCQSHGPH-UHFFFAOYSA-N
- SMILES： O(CCC)C1C=CC(C=O)=C(C=1C)OCC(=O)O
Computed Properties
- Exact Mass: 252.09977361g/mol
- Monoisotopic Mass: 252.09977361g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 279
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 72.8?2
Acetic acid, (6-formyl-2-methyl-3-propoxyphenoxy)- Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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