Cas no 23723-46-8 (3-Pyridinemethanol,5-chloro-, 3-propanoate)
23723-46-8 structure
Product Name:3-Pyridinemethanol,5-chloro-, 3-propanoate
CAS No:23723-46-8
MF:C9H10ClNO2
MW:199.634201526642
CID:267498
PubChem ID:211907
Update Time:2025-04-19
3-Pyridinemethanol,5-chloro-, 3-propanoate Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinemethanol,5-chloro-, 3-propanoate
- BRN 1531187
- 3-Pyridinemethanol, 5-chloro-, propanoate (ester)
- DTXSID50178400
- 23723-46-8
- 5-21-02-00183 (Beilstein Handbook Reference)
- 5-Chloro-3-pyridinemethanol propanoate (ester)
-
- Inchi： 1S/C9H10ClNO2/c1-2-9(12)13-6-7-3-8(10)5-11-4-7/h3-5H,2,6H2,1H3
- InChI Key： CVJHVAQVVIEWAC-UHFFFAOYSA-N
- SMILES： ClC1=CN=CC(=C1)COC(CC)=O
Computed Properties
- Exact Mass: 199.0401
- Monoisotopic Mass: 199.0400063g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 175
- 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: 1.6
- Topological Polar Surface Area: 39.2?2
Experimental Properties
- PSA: 39.19
3-Pyridinemethanol,5-chloro-, 3-propanoate Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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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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Jason Wan Lab Chip, 2020,20, 4528-4538
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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