Cas no 58706-37-9 (1H-Indazole, 1,3,7-trimethyl-)
58706-37-9 structure
Product Name:1H-Indazole, 1,3,7-trimethyl-
CAS No:58706-37-9
MF:C10H12N2
MW:160.215682029724
CID:948924
PubChem ID:45121404
Update Time:2025-04-19
1H-Indazole, 1,3,7-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indazole, 1,3,7-trimethyl-
- 58706-37-9
- 1,3,7-Trimethyl-1H-indazole
- SCHEMBL20215514
-
- Inchi: 1S/C10H12N2/c1-7-5-4-6-9-8(2)11-12(3)10(7)9/h4-6H,1-3H3
- InChI Key: YTIOEEFCRABAIP-UHFFFAOYSA-N
- SMILES: N1(C)C2C(C)=CC=CC=2C(C)=N1
Computed Properties
- Exact Mass: 160.100048391g/mol
- Monoisotopic Mass: 160.100048391g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 169
- 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: 17.8?2
1H-Indazole, 1,3,7-trimethyl- Related Literature
-
Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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