Cas no 208117-25-3 (2H-Isoindole-2-carboxylic acid, methyl ester)
208117-25-3 structure
Product Name:2H-Isoindole-2-carboxylic acid, methyl ester
CAS No:208117-25-3
MF:C10H9NO2
MW:175.183962583542
CID:910582
PubChem ID:15866181
Update Time:2025-04-19
2H-Isoindole-2-carboxylic acid, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2H-Isoindole-2-carboxylic acid, methyl ester
- methyl isoindole-2-carboxylate
- 2H-ISOINDOLE-2-CARBOXYLIC ACID,METHYL ESTER
- Methyl 2H-isoindole-2-carboxylate
- 208117-25-3
- DTXSID70578983
- N-(methoxycarbonyl) isoindole
- Methyl2H-isoindole-2-carboxylate
-
- Inchi: 1S/C10H9NO2/c1-13-10(12)11-6-8-4-2-3-5-9(8)7-11/h2-7H,1H3
- InChI Key: JMPABLJNOFZFFQ-UHFFFAOYSA-N
- SMILES: O(C)C(N1C=C2C=CC=CC2=C1)=O
Computed Properties
- Exact Mass: 175.06337
- Monoisotopic Mass: 175.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 191
- 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: 2.2
- Topological Polar Surface Area: 31.2?2
Experimental Properties
- PSA: 31.23
2H-Isoindole-2-carboxylic acid, methyl ester Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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