Cas no 24582-03-4 (methyl 2-(2-formyl-6-methylphenoxy)acetate)
24582-03-4 structure
Product Name:methyl 2-(2-formyl-6-methylphenoxy)acetate
CAS No:24582-03-4
MF:C11H12O4
MW:208.210583686829
CID:2116403
Update Time:2023-11-19
methyl 2-(2-formyl-6-methylphenoxy)acetate Chemical and Physical Properties
Names and Identifiers
-
- methyl 2-(2-formyl-6-methylphenoxy)acetate
- Acetic acid, 2-(2-formyl-6-methylphenoxy)-, methyl ester
- CID 90717728
-
- Inchi： 1S/C11H12O4/c1-8-4-3-5-9(6-12)11(8)15-7-10(13)14-2/h3-6H,7H2,1-2H3
- InChI Key： NFOKWNZGFUZUHJ-UHFFFAOYSA-N
- SMILES： O(CC(=O)OC)C1C(C=O)=CC=CC=1C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 227
- Topological Polar Surface Area: 52.6
methyl 2-(2-formyl-6-methylphenoxy)acetate Related Literature
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Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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