Cas no 1030376-90-9 (alternarienonic acid)
alternarienonic acid structure
Product Name:alternarienonic acid
CAS No:1030376-90-9
MF:C14H14O6
MW:278.257364749908
CID:2059360
PubChem ID:24900161
Update Time:2025-04-21
alternarienonic acid Chemical and Physical Properties
Names and Identifiers
-
- alternarienonic acid
- 2-hydroxy-6-((4R)-4-hydroxy-2-methyl-5-oxocyclopenten-1-yl)-4-methoxybenzoic acid
- BDBM50479265
- CHEMBL519395
- 2-Hydroxy-6-((4R)-4-hydroxy-2-methyl-5-oxocyclopent-1-en-1-yl)-4-methoxybenzoate
- CHEBI:207278
- 1030376-90-9
- 2-Hydroxy-6-[(4R)-4-hydroxy-2-methyl-5-oxocyclopent-1-en-1-yl]-4-methoxybenzoate
- Alternarienonate
- 2-hydroxy-6-[(4R)-4-hydroxy-2-methyl-5-oxocyclopenten-1-yl]-4-methoxybenzoic acid
-
- Inchi： 1S/C14H14O6/c1-6-3-10(16)13(17)11(6)8-4-7(20-2)5-9(15)12(8)14(18)19/h4-5,10,15-16H,3H2,1-2H3,(H,18,19)
- InChI Key： KZPGRZQYEBJXQJ-UHFFFAOYSA-N
- SMILES： COC1C=C(C2C(=O)C(O)CC=2C)C(C(=O)O)=C(O)C=1
Computed Properties
- Exact Mass: 278.07903816Da
- Monoisotopic Mass: 278.07903816Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 455
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.655
- Topological Polar Surface Area: 104?2
alternarienonic acid 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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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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