Cas no 823789-48-6 (Benzoic acid, 2-hydroxy-3-iodo-4-methoxy-6-methyl-, methyl ester)
823789-48-6 structure
Product Name:Benzoic acid, 2-hydroxy-3-iodo-4-methoxy-6-methyl-, methyl ester
CAS No:823789-48-6
MF:C10H11IO4
MW:322.096415758133
CID:693368
PubChem ID:16204187
Update Time:2025-04-19
Benzoic acid, 2-hydroxy-3-iodo-4-methoxy-6-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-hydroxy-3-iodo-4-methoxy-6-methyl-, methyl ester
- methyl 2-hydroxy-3-iodo-4-methoxy-6-methylbenzoate
- 823789-48-6
- DTXSID70583310
-
- Inchi： 1S/C10H11IO4/c1-5-4-6(14-2)8(11)9(12)7(5)10(13)15-3/h4,12H,1-3H3
- InChI Key： BBHHKNFCMAAZAS-UHFFFAOYSA-N
- SMILES： IC1C(=CC(C)=C(C(=O)OC)C=1O)OC
Computed Properties
- Exact Mass: 321.97021g/mol
- Monoisotopic Mass: 321.97021g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 234
- 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: 3
- Topological Polar Surface Area: 55.8?2
Benzoic acid, 2-hydroxy-3-iodo-4-methoxy-6-methyl-, methyl ester Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
823789-48-6 (Benzoic acid, 2-hydroxy-3-iodo-4-methoxy-6-methyl-, methyl ester) Related Products
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