Cas no 90087-14-2 (3-Pyridinecarboxylicacid, 1,6-dihydro-1-methyl-, methyl ester)
90087-14-2 structure
Product Name:3-Pyridinecarboxylicacid, 1,6-dihydro-1-methyl-, methyl ester
CAS No:90087-14-2
MF:C8H11NO2
MW:153.178442239761
CID:797985
PubChem ID:45090135
Update Time:2025-04-19
3-Pyridinecarboxylicacid, 1,6-dihydro-1-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxylicacid, 1,6-dihydro-1-methyl-, methyl ester
- 3-Pyridinecarboxylicacid,1,6-dihydro-1-methyl-,methylester(9CI)
- 1H-benzotriazole-1-carboxylic acid methyl ester 3-oxide
- 1-methyl-1,6-dihydro-pyridine-3-carboxylic acid methyl ester
- 3-methoxycarbonyl-1H-benzotriazol-3-ium-1-olate
- 3-Methoxycarbonyl-1-methyl-1,6-dihydro-pyridin
- Methyl 1H-benzotriazole-1-carboxylate,3-oxide
- SCHEMBL23373239
- 90087-14-2
-
- Inchi： 1S/C8H11NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h3-4,6H,5H2,1-2H3
- InChI Key： DZSFYOFARANGKU-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=CCN(C)C=1)=O
Computed Properties
- Exact Mass: 153.07900
- Monoisotopic Mass: 153.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 218
- 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: 0.9
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.54000
- LogP: 0.48280
3-Pyridinecarboxylicacid, 1,6-dihydro-1-methyl-, methyl ester Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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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
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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