Cas no 56044-97-4 (2-Pyridinecarboxylicacid,6-(1-methylethoxy)-,methylester(9CI))
56044-97-4 structure
Product Name:2-Pyridinecarboxylicacid,6-(1-methylethoxy)-,methylester(9CI)
CAS No:56044-97-4
MF:C10H13NO3
MW:195.215122938156
CID:944848
PubChem ID:45116256
Update Time:2025-04-19
2-Pyridinecarboxylicacid,6-(1-methylethoxy)-,methylester(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinecarboxylicacid,6-(1-methylethoxy)-,methylester(9CI)
- 6-ISOPROPOXYPYRIDIN-3-OL
- 6-isopropoxy-pyridine-2-carboxylic acid methyl ester
- 56044-97-4
-
- Inchi： 1S/C10H13NO3/c1-7(2)14-9-6-4-5-8(11-9)10(12)13-3/h4-7H,1-3H3
- InChI Key： GMWFVEKZPZWBBT-UHFFFAOYSA-N
- SMILES： O(C1C=CC=C(C(=O)OC)N=1)C(C)C
Computed Properties
- Exact Mass: 195.09000
- Monoisotopic Mass: 195.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 194
- 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
- Topological Polar Surface Area: 48.4A^2
- XLogP3: 2.1
Experimental Properties
- PSA: 48.42000
- LogP: 1.65540
2-Pyridinecarboxylicacid,6-(1-methylethoxy)-,methylester(9CI) Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
56044-97-4 (2-Pyridinecarboxylicacid,6-(1-methylethoxy)-,methylester(9CI)) Related Products
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