Cas no 56365-72-1 (2H-Isoindole-1-carboxylicacid, 2-methyl-, methyl ester)
56365-72-1 structure
Product Name:2H-Isoindole-1-carboxylicacid, 2-methyl-, methyl ester
CAS No:56365-72-1
MF:C11H11NO2
MW:189.210542917252
CID:386749
PubChem ID:324284
Update Time:2025-04-19
2H-Isoindole-1-carboxylicacid, 2-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2H-Isoindole-1-carboxylicacid, 2-methyl-, methyl ester
- methyl 2-methylisoindole-1-carboxylate
- 1-Methoxycarbonyl-2-methylisoindol
- 2-methyl-2H-isoindole-1-carboxylic acid methyl ester
- AC1L8A81
- NSC289127
- methyl 2-methyl-2H-isoindole-1-carboxylate
- NSC-289127
- 56365-72-1
- DTXSID10314842
-
- Inchi： 1S/C11H11NO2/c1-12-7-8-5-3-4-6-9(8)10(12)11(13)14-2/h3-7H,1-2H3
- InChI Key： RQYQELNAGKSIQB-UHFFFAOYSA-N
- SMILES： O(C)C(C1=C2C=CC=CC2=CN1C)=O
Computed Properties
- Exact Mass: 189.07903
- Monoisotopic Mass: 189.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 229
- 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: 2.1
- Topological Polar Surface Area: 31.2?2
Experimental Properties
- PSA: 31.23
- LogP: 1.96490
2H-Isoindole-1-carboxylicacid, 2-methyl-, methyl ester Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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