Cas no 108352-97-2 (5-(4-methoxybenzyloxy)-4-oxo-4H-pyran-2-carboxylic acid)
108352-97-2 structure
Product Name:5-(4-methoxybenzyloxy)-4-oxo-4H-pyran-2-carboxylic acid
CAS No:108352-97-2
MF:C14H12O6
MW:276.241484642029
CID:2114668
PubChem ID:15077773
Update Time:2025-04-21
5-(4-methoxybenzyloxy)-4-oxo-4H-pyran-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 5-(4-methoxybenzyloxy)-4-oxo-4H-pyran-2-carboxylic acid
- 108352-97-2
- SCHEMBL9356623
- DA-38593
- 5-((4-methoxybenzyl)oxy)-4-oxo-4H-pyran-2-carboxylic acid
- PBNTUWWHUFMAHL-UHFFFAOYSA-N
-
- Inchi： 1S/C14H12O6/c1-18-10-4-2-9(3-5-10)7-19-13-8-20-12(14(16)17)6-11(13)15/h2-6,8H,7H2,1H3,(H,16,17)
- InChI Key： PBNTUWWHUFMAHL-UHFFFAOYSA-N
- SMILES： O(C1=COC(C(=O)O)=CC1=O)CC1C=CC(=CC=1)OC
Computed Properties
- Exact Mass: 276.06338810Da
- Monoisotopic Mass: 276.06338810Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 443
- 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: 1.5
- Topological Polar Surface Area: 82.1?2
5-(4-methoxybenzyloxy)-4-oxo-4H-pyran-2-carboxylic acid 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
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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