Cas no 90564-35-5 (3,4-Pyridinedicarboxylicacid, 5-hydroxy-2,6-dimethyl-)
90564-35-5 structure
Product Name:3,4-Pyridinedicarboxylicacid, 5-hydroxy-2,6-dimethyl-
CAS No:90564-35-5
MF:C9H9NO5
MW:211.171462774277
CID:798475
PubChem ID:45117818
Update Time:2025-04-19
3,4-Pyridinedicarboxylicacid, 5-hydroxy-2,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 3,4-Pyridinedicarboxylicacid, 5-hydroxy-2,6-dimethyl-
- 5-hydroxy-2,6-dimethylpyridine-3,4-dicarboxylic acid
- DTXSID50668679
- 90564-35-5
-
- Inchi： 1S/C9H9NO5/c1-3-5(8(12)13)6(9(14)15)7(11)4(2)10-3/h11H,1-2H3,(H,12,13)(H,14,15)
- InChI Key： KOTPBYBIJNRIGR-UHFFFAOYSA-N
- SMILES： OC1=C(C)N=C(C)C(C(=O)O)=C1C(=O)O
Computed Properties
- Exact Mass: 211.048
- Monoisotopic Mass: 211.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 280
- 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: 108A^2
- XLogP3: 0.9
3,4-Pyridinedicarboxylicacid, 5-hydroxy-2,6-dimethyl- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
90564-35-5 (3,4-Pyridinedicarboxylicacid, 5-hydroxy-2,6-dimethyl-) Related Products
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