Cas no 110110-78-6 (2,5-Pyridinedicarboxylic acid, 3-methoxy-)
110110-78-6 structure
Product Name:2,5-Pyridinedicarboxylic acid, 3-methoxy-
CAS No:110110-78-6
MF:C8H7NO5
MW:197.144882440567
CID:1190806
PubChem ID:13725886
Update Time:2025-04-20
2,5-Pyridinedicarboxylic acid, 3-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Pyridinedicarboxylic acid, 3-methoxy-
- DB-411157
- 110110-78-6
- SCHEMBL8768358
- 3-Methoxy-2,5-pyridinedicarboxylic acid
-
- Inchi： 1S/C8H7NO5/c1-14-5-2-4(7(10)11)3-9-6(5)8(12)13/h2-3H,1H3,(H,10,11)(H,12,13)
- InChI Key： MZTVBYJTDVINFE-UHFFFAOYSA-N
- SMILES： O(C)C1C(C(=O)O)=NC=C(C(=O)O)C=1
Computed Properties
- Exact Mass: 197.03241
- Monoisotopic Mass: 197.03242232g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 242
- 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: 0.2
- Topological Polar Surface Area: 96.7?2
Experimental Properties
- PSA: 96.72
2,5-Pyridinedicarboxylic acid, 3-methoxy- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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