Cas no 363591-06-4 (dimethyl 1H-indole-1,3-dicarboxylate)
363591-06-4 structure
Product Name:dimethyl 1H-indole-1,3-dicarboxylate
CAS No:363591-06-4
MF:C12H11NO4
MW:233.220043420792
CID:5688604
PubChem ID:747462
Update Time:2023-09-27
dimethyl 1H-indole-1,3-dicarboxylate Chemical and Physical Properties
Names and Identifiers
-
- HMS2347E19
- AKOS000623295
- 363591-06-4
- BIM-0007214.P001
- SR-01000495884-1
- SDCCGMLS-0007579.P002
- dimethyl 1H-indole-1,3-dicarboxylate
- SR-01000495884
- CBMicro_007301
- STK386877
- SMR000070562
- CB09709
- CHEMBL1447398
- MLS000061588
- HMS1679G02
- SMSF0012112
- dimethyl indole-1,3-dicarboxylate
- 1H-Indole-1,3-dicarboxylic acid, 1,3-dimethyl ester
-
- Inchi： 1S/C12H11NO4/c1-16-11(14)9-7-13(12(15)17-2)10-6-4-3-5-8(9)10/h3-7H,1-2H3
- InChI Key： REWBPNPSPSCWLS-UHFFFAOYSA-N
- SMILES： O(C)C(N1C=C(C(=O)OC)C2C=CC=CC1=2)=O
Computed Properties
- Exact Mass: 233.06880783g/mol
- Monoisotopic Mass: 233.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 318
- 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: 57.5?2
Experimental Properties
- Density: 1.25±0.1 g/cm3(Predicted)
- Boiling Point: 364.9±34.0 °C(Predicted)
dimethyl 1H-indole-1,3-dicarboxylate Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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