Cas no 33101-40-5 (1H-Indazole,3,6,7-trimethyl-)
1H-Indazole,3,6,7-trimethyl- structure
Product Name:1H-Indazole,3,6,7-trimethyl-
CAS No:33101-40-5
MF:C10H12N2
MW:160.215682029724
CID:294040
PubChem ID:45121472
Update Time:2025-04-19
1H-Indazole,3,6,7-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indazole,3,6,7-trimethyl-
- 3,6,7-trimethyl-2H-indazole
- MB69270
- 33101-40-5
- 3,6,7-TRIMETHYL-1H-INDAZOLE
- SCHEMBL8404435
-
- Inchi： 1S/C10H12N2/c1-6-4-5-9-8(3)11-12-10(9)7(6)2/h4-5H,1-3H3,(H,11,12)
- InChI Key： ZQLSOQQKKXHBNC-UHFFFAOYSA-N
- SMILES： N1C(C)=C2C=CC(C)=C(C)C2=N1
Computed Properties
- Exact Mass: 160.10016
- Monoisotopic Mass: 160.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- 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
- Topological Polar Surface Area: 28.7A^2
- XLogP3: 2.7
Experimental Properties
- PSA: 28.68
1H-Indazole,3,6,7-trimethyl- Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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