Cas no 823789-51-1 (Benzoic acid, 2,4-dihydroxy-3-iodo-6-methyl-, methyl ester)
823789-51-1 structure
Product Name:Benzoic acid, 2,4-dihydroxy-3-iodo-6-methyl-, methyl ester
CAS No:823789-51-1
MF:C9H9IO4
MW:308.069835424423
CID:693365
PubChem ID:16204279
Update Time:2025-04-19
Benzoic acid, 2,4-dihydroxy-3-iodo-6-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2,4-dihydroxy-3-iodo-6-methyl-, methyl ester
- methyl 2,4-dihydroxy-3-iodo-6-methylbenzoate
- 823789-51-1
- DTXSID30583311
-
- Inchi： 1S/C9H9IO4/c1-4-3-5(11)7(10)8(12)6(4)9(13)14-2/h3,11-12H,1-2H3
- InChI Key： UKAKRKLOIZRXEC-UHFFFAOYSA-N
- SMILES： IC1C(=CC(C)=C(C(=O)OC)C=1O)O
Computed Properties
- Exact Mass: 307.95456g/mol
- Monoisotopic Mass: 307.95456g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 221
- 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: 2.6
- Topological Polar Surface Area: 66.8?2
Benzoic acid, 2,4-dihydroxy-3-iodo-6-methyl-, methyl ester Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
823789-51-1 (Benzoic acid, 2,4-dihydroxy-3-iodo-6-methyl-, methyl ester) Related Products
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