Cas no 219685-71-9 (Acetic acid, [(4-formyl-1-naphthalenyl)oxy]-)
![Acetic acid, [(4-formyl-1-naphthalenyl)oxy]- structure](https://ossimg.kuujia.com/scimg/220000/219685-71-9x500.png)
219685-71-9 structure
Product Name:Acetic acid, [(4-formyl-1-naphthalenyl)oxy]-
CAS No:219685-71-9
MF:C13H10O4
MW:230.216104030609
CID:1405524
PubChem ID:54232122
Update Time:2025-04-20
Acetic acid, [(4-formyl-1-naphthalenyl)oxy]- Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, [(4-formyl-1-naphthalenyl)oxy]-
- DB-201990
- 219685-71-9
- (4-formylnaphth-1-yloxy) acetic acid
- QKADWSHGMXUMLF-UHFFFAOYSA-N
- 2-(1-Formylnaphthalen-4-yloxy)acetic acid
- SCHEMBL2649228
-
- Inchi： 1S/C13H10O4/c14-7-9-5-6-12(17-8-13(15)16)11-4-2-1-3-10(9)11/h1-7H,8H2,(H,15,16)
- InChI Key： QKADWSHGMXUMLF-UHFFFAOYSA-N
- SMILES： O(CC(=O)O)C1C=CC(C=O)=C2C=CC=CC2=1
Computed Properties
- Exact Mass: 230.0579
- Monoisotopic Mass: 230.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 289
- 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: 2.3
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- PSA: 63.6
Acetic acid, [(4-formyl-1-naphthalenyl)oxy]- 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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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