Cas no 89770-38-7 (3-Cinnolinecarboxylic acid, 7-ethyl-, ethyl ester)
89770-38-7 structure
Product Name:3-Cinnolinecarboxylic acid, 7-ethyl-, ethyl ester
CAS No:89770-38-7
MF:C13H14N2O2
MW:230.262463092804
CID:589540
PubChem ID:23274481
Update Time:2025-04-19
3-Cinnolinecarboxylic acid, 7-ethyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Cinnolinecarboxylic acid, 7-ethyl-, ethyl ester
- ethyl 7-ethylcinnoline-3-carboxylate
- DTXSID00632289
- 89770-38-7
-
- Inchi： 1S/C13H14N2O2/c1-3-9-5-6-10-8-12(13(16)17-4-2)15-14-11(10)7-9/h5-8H,3-4H2,1-2H3
- InChI Key： YOHVJALXRBDDLV-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CC2C=CC(=CC=2N=N1)CC)=O
Computed Properties
- Exact Mass: 230.105527694g/mol
- Monoisotopic Mass: 230.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 270
- 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: 2.3
- Topological Polar Surface Area: 52.1?2
3-Cinnolinecarboxylic acid, 7-ethyl-, ethyl ester Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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