Cas no 106133-21-5 (2,4-Pyridinediol,1-oxide)
2,4-Pyridinediol,1-oxide structure
Product Name:2,4-Pyridinediol,1-oxide
CAS No:106133-21-5
MF:C5H5NO3
MW:127.098101377487
CID:153311
PubChem ID:54694045
Update Time:2025-04-19
2,4-Pyridinediol,1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Pyridinediol,1-oxide
- 1,4-dihydroxypyridin-2-one
- 2,4-Pyridinediol,1-oxide(9CI)
- 1,2-dihydroxypyridin-4(1H)-one
- 2,4-dihydroxypyridine N-oxide
- 2,4-dihydroxypyridine-1-oxide
- 1,4-Dihydroxypyrid-2-one
- DTXSID70909930
- SCHEMBL9464580
- 2,4-Pyridinediol, 1-oxide
- SCHEMBL7393594
- 106133-21-5
- ITSBCXBYFLTMNS-UHFFFAOYSA-N
- YWHKCBUMJJQKQX-UHFFFAOYSA-N
-
- Inchi： 1S/C5H5NO3/c7-4-1-2-6(9)5(8)3-4/h1-3,7,9H
- InChI Key： ITSBCXBYFLTMNS-UHFFFAOYSA-N
- SMILES： ON1C=CC(=CC1=O)O
Computed Properties
- Exact Mass: 127.02695
- Monoisotopic Mass: 127.026943022g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- 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
- XLogP3: -0.7
- Topological Polar Surface Area: 60.8?2
Experimental Properties
- PSA: 60.77
2,4-Pyridinediol,1-oxide Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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