Cas no 125740-31-0 (Benzoic acid, 3,4,5-trihydroxy-, 2-propenyl ester)
125740-31-0 structure
Product Name:Benzoic acid, 3,4,5-trihydroxy-, 2-propenyl ester
CAS No:125740-31-0
MF:C10H10O5
MW:210.183403491974
CID:1218384
PubChem ID:19068696
Update Time:2025-04-20
Benzoic acid, 3,4,5-trihydroxy-, 2-propenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3,4,5-trihydroxy-, 2-propenyl ester
- Allyl 3,4,5- trihydroxybenzoate
- MFCD03200682
- Oprea1_412416
- SCHEMBL39875
- 125740-31-0
- allyl gallate
-
- Inchi： 1S/C10H10O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h2,4-5,11-13H,1,3H2
- InChI Key： BSXCVNIQHJJAHQ-UHFFFAOYSA-N
- SMILES： O(CC=C)C(C1C=C(C(=C(C=1)O)O)O)=O
Computed Properties
- Exact Mass: 210.05282342g/mol
- Monoisotopic Mass: 210.05282342g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 228
- 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: 87?2
Benzoic acid, 3,4,5-trihydroxy-, 2-propenyl ester Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
125740-31-0 (Benzoic acid, 3,4,5-trihydroxy-, 2-propenyl ester) Related Products
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