Cas no 51362-29-9 (3-Pyridineacetic acid, 6-phenoxy-)
51362-29-9 structure
Product Name:3-Pyridineacetic acid, 6-phenoxy-
CAS No:51362-29-9
MF:C13H11NO3
MW:229.231343507767
CID:362451
PubChem ID:13239571
Update Time:2025-04-19
3-Pyridineacetic acid, 6-phenoxy- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridineacetic acid, 6-phenoxy-
- 2-(6-phenoxypyridin-3-yl)acetic acid
- (6-Phenoxypyridin-3-yl)acetic acid
- DTXSID10531178
- 51362-29-9
- SCHEMBL7452934
-
- Inchi： 1S/C13H11NO3/c15-13(16)8-10-6-7-12(14-9-10)17-11-4-2-1-3-5-11/h1-7,9H,8H2,(H,15,16)
- InChI Key： HPZAEYCUESYMMS-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)C1C=CC(=CN=1)CC(=O)O
Computed Properties
- Exact Mass: 229.07393
- Monoisotopic Mass: 229.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 251
- 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: 59.4?2
Experimental Properties
- PSA: 59.42
3-Pyridineacetic acid, 6-phenoxy- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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