Cas no 1047632-29-0 (ceratinophenol A)
ceratinophenol A structure
Product Name:ceratinophenol A
CAS No:1047632-29-0
MF:C10H11BrO5
MW:291.095342874527
CID:2035805
PubChem ID:25016408
Update Time:2025-04-21
ceratinophenol A Chemical and Physical Properties
Names and Identifiers
-
- ceratinophenol A
- CHEMBL466797
- ethyl 5-bromo-2,3-dihydroxy-6-methoxybenzoate
- 1047632-29-0
-
- Inchi： 1S/C10H11BrO5/c1-3-16-10(14)7-8(13)6(12)4-5(11)9(7)15-2/h4,12-13H,3H2,1-2H3
- InChI Key： RBPFPIQYTCTEBN-UHFFFAOYSA-N
- SMILES： CCOC(C1C(OC)=C(Br)C=C(O)C=1O)=O
Computed Properties
- Exact Mass: 289.97899Da
- Monoisotopic Mass: 289.97899Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 247
- 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: 2.514
- Topological Polar Surface Area: 76?2
ceratinophenol A Related Literature
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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