Cas no 727422-53-9 (2-Propenoic acid,3-(2,3,4,6-tetrahydroxyphenyl)-)
727422-53-9 structure
Product Name:2-Propenoic acid,3-(2,3,4,6-tetrahydroxyphenyl)-
CAS No:727422-53-9
MF:C9H8O6
MW:212.156223297119
CID:558988
Update Time:2024-03-05
2-Propenoic acid,3-(2,3,4,6-tetrahydroxyphenyl)- Chemical and Physical Properties
Names and Identifiers
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- 2-Propenoic acid,3-(2,3,4,6-tetrahydroxyphenyl)-
- 2-Propenoic acid, 3-(2,3,4,6-tetrahydroxyphenyl)- (9CI)
- 2-Propenoic acid, 3-(2,3,4,6-tetrahydroxyphenyl)-
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- Inchi： 1S/C9H8O6/c10-5-3-6(11)9(15)8(14)4(5)1-2-7(12)13/h1-3,10-11,14-15H,(H,12,13)
- InChI Key： ZEHLKLPJVITIIQ-UHFFFAOYSA-N
- SMILES： C(O)(=O)C=CC1=C(O)C=C(O)C(O)=C1O
Computed Properties
- Exact Mass: 212.032
- Monoisotopic Mass: 212.032
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 263
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 118A^2
2-Propenoic acid,3-(2,3,4,6-tetrahydroxyphenyl)- Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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