Cas no 33187-98-3 (Benzoic acid, 4-formyl-2,6-dimethoxy-, methyl ester)
33187-98-3 structure
Product Name:Benzoic acid, 4-formyl-2,6-dimethoxy-, methyl ester
CAS No:33187-98-3
MF:C11H12O5
MW:224.209983825684
CID:1455737
PubChem ID:12668400
Update Time:2025-04-20
Benzoic acid, 4-formyl-2,6-dimethoxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-formyl-2,6-dimethoxy-, methyl ester
- methyl 4-formyl-2,6-dimethoxybenzoate
- SCHEMBL1515913
- DTXSID20506251
- 33187-98-3
- 2,6-dimethoxy-4-formyl-benzoic acid methyl ester
- 4-Formyl-2,6-dimethoxybenzoic acid methyl ester
- DB-138470
-
- Inchi： 1S/C11H12O5/c1-14-8-4-7(6-12)5-9(15-2)10(8)11(13)16-3/h4-6H,1-3H3
- InChI Key： DMZKZOINHKXBDE-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C=O)C=C(C=1C(=O)OC)OC
Computed Properties
- Exact Mass: 224.06846
- Monoisotopic Mass: 224.06847348g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 239
- 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: 1.2
- Topological Polar Surface Area: 61.8?2
Experimental Properties
- PSA: 61.83
Benzoic acid, 4-formyl-2,6-dimethoxy-, methyl ester Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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4. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
33187-98-3 (Benzoic acid, 4-formyl-2,6-dimethoxy-, methyl ester) Related Products
- 2150-46-1(Methyl 2,5-dihydroxybenzoate)
- 2150-47-2(Methyl 2,4-dihydroxybenzoate)
- 5446-02-6(Methyl 4-methoxysalicylate)
- 10268-71-0(Phenyl 2-methoxybenzoate)
- 22955-73-3(Dimethyl 4-methoxyisophthalate)
- 552-94-3(Salsalate)
- 606-45-1(Methyl 2-methoxybenzoate)
- 2065-27-2(Methyl 2,6-dimethoxybenzoate)
- 3686-55-3(Methyl 2-ethoxybenzoate)
- 118-55-8(Phenyl salicylate)
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