Cas no 68833-96-5 (1H-indole-2,7-dicarboxylic acid)
68833-96-5 structure
Product Name:1H-indole-2,7-dicarboxylic acid
CAS No:68833-96-5
MF:C10H7NO4
MW:205.166882753372
CID:972219
PubChem ID:111637
Update Time:2025-04-19
1H-indole-2,7-dicarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 1H-indole-2,7-dicarboxylic acid
- Indole-2,7-dicarboxylic acid
- NS00036709
- 68833-96-5
- SCHEMBL11035155
- QPH7B44UBR
- EINECS 272-423-0
- DTXSID9071767
- GPZDWQUDHYWQBS-UHFFFAOYSA-N
-
- Inchi： 1S/C10H7NO4/c12-9(13)6-3-1-2-5-4-7(10(14)15)11-8(5)6/h1-4,11H,(H,12,13)(H,14,15)
- InChI Key： GPZDWQUDHYWQBS-UHFFFAOYSA-N
- SMILES： OC(C1=CC=CC2C=C(C(=O)O)NC=21)=O
Computed Properties
- Exact Mass: 205.03751
- Monoisotopic Mass: 205.038
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 291
- 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: 1.4
- Topological Polar Surface Area: 90.4?2
Experimental Properties
- Density: 1.616
- Boiling Point: 578.5°C at 760 mmHg
- Flash Point: 303.7°C
- Refractive Index: 1.763
- PSA: 90.39
1H-indole-2,7-dicarboxylic acid Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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