Cas no 234782-66-2 (3-Cinnolinecarboxylicacid, 4-amino-8-methyl-)
234782-66-2 structure
Product Name:3-Cinnolinecarboxylicacid, 4-amino-8-methyl-
CAS No:234782-66-2
MF:C10H9N3O2
MW:203.197361707687
CID:245409
PubChem ID:15405573
Update Time:2025-04-19
3-Cinnolinecarboxylicacid, 4-amino-8-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Cinnolinecarboxylicacid, 4-amino-8-methyl-
- 4-Amino-8-methylcinnolin-3-carboxylicacid
- 4-amino-8-methylcinnoline-3-carboxylic acid
- 3-cinnolinecarboxylic acid,4-amino-8-methyl-
- 4-Amino-8-methylcinnoline-3-carboxylicacid
- DTXSID40572473
- 234782-66-2
-
- Inchi： 1S/C10H9N3O2/c1-5-3-2-4-6-7(11)9(10(14)15)13-12-8(5)6/h2-4H,1H3,(H2,11,12)(H,14,15)
- InChI Key： IMZSMEMWMCECOM-UHFFFAOYSA-N
- SMILES： OC(C1=C(C2C=CC=C(C)C=2N=N1)N)=O
Computed Properties
- Exact Mass: 203.06957
- Monoisotopic Mass: 203.069476538g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 259
- 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: 1.3
- Topological Polar Surface Area: 89.1?2
Experimental Properties
- PSA: 89.1
3-Cinnolinecarboxylicacid, 4-amino-8-methyl- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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