Cas no 54126-71-5 (1,2-Propanediol,3-[(2-methoxy-3-pyridinyl)oxy]-(9CI))
![1,2-Propanediol,3-[(2-methoxy-3-pyridinyl)oxy]-(9CI) structure](https://ossimg.kuujia.com/scimg/54500/54126-71-5x500.png)
54126-71-5 structure
Product Name:1,2-Propanediol,3-[(2-methoxy-3-pyridinyl)oxy]-(9CI)
CAS No:54126-71-5
MF:C9H13NO4
MW:199.203822851181
CID:939824
Update Time:2023-03-27
1,2-Propanediol,3-[(2-methoxy-3-pyridinyl)oxy]-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 1,2-Propanediol,3-[(2-methoxy-3-pyridinyl)oxy]-(9CI)
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- Inchi： 1S/C9H13NO4/c1-13-9-8(3-2-4-10-9)14-6-7(12)5-11/h2-4,7,11-12H,5-6H2,1H3
- InChI Key： NOLMDTMFZHUFNI-UHFFFAOYSA-N
- SMILES： C(O)C(O)COC1=CC=CN=C1OC
Computed Properties
- Exact Mass: 199.084
- Monoisotopic Mass: 199.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 156
- 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
- Topological Polar Surface Area: 71.8A^2
1,2-Propanediol,3-[(2-methoxy-3-pyridinyl)oxy]-(9CI) Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
54126-71-5 (1,2-Propanediol,3-[(2-methoxy-3-pyridinyl)oxy]-(9CI)) Related Products
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