Cas no 117356-47-5 (2-Naphthaleneaceticacid, 7-propoxy-)
117356-47-5 structure
Product Name:2-Naphthaleneaceticacid, 7-propoxy-
CAS No:117356-47-5
MF:C15H16O3
MW:244.285744667053
CID:190170
PubChem ID:135402
Update Time:2025-04-19
2-Naphthaleneaceticacid, 7-propoxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthaleneaceticacid, 7-propoxy-
- 2-(7-propoxynaphthalen-2-yl)acetic acid
- 7-Propoxy-naphthalene-2-ylacetic acid
- 7-Propoxy-2-naphthaleneacetic acid
- 117356-47-5
- 2-Naphthaleneacetic acid, 7-propoxy-
- DTXSID40151767
-
- Inchi： 1S/C15H16O3/c1-2-7-18-14-6-5-12-4-3-11(9-15(16)17)8-13(12)10-14/h3-6,8,10H,2,7,9H2,1H3,(H,16,17)
- InChI Key： JDVMWKIXWQMYBU-UHFFFAOYSA-N
- SMILES： O(CCC)C1C=CC2C=CC(CC(=O)O)=CC=2C=1
Computed Properties
- Exact Mass: 244.10998
- Monoisotopic Mass: 244.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 277
- 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: 3.5
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
2-Naphthaleneaceticacid, 7-propoxy- 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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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
117356-47-5 (2-Naphthaleneaceticacid, 7-propoxy-) Related Products
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