Cas no 872364-58-4 (1H-Indazole, 1-(3-butynyl)-)
1H-Indazole, 1-(3-butynyl)- structure
Product Name:1H-Indazole, 1-(3-butynyl)-
CAS No:872364-58-4
MF:C11H10N2
MW:170.210502147675
CID:1867962
PubChem ID:63655048
Update Time:2025-04-21
1H-Indazole, 1-(3-butynyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indazole, 1-(3-butynyl)-
- SCHEMBL103799
- 1-(but-3-ynyl)-1H-indazole
- DB-115787
- AKOS012965715
- 872364-58-4
- OWXXGUXRBBJFRG-UHFFFAOYSA-N
-
- Inchi： 1S/C11H10N2/c1-2-3-8-13-11-7-5-4-6-10(11)9-12-13/h1,4-7,9H,3,8H2
- InChI Key： OWXXGUXRBBJFRG-UHFFFAOYSA-N
- SMILES： N1(CCC#C)C2C=CC=CC=2C=N1
Computed Properties
- Exact Mass: 170.084398327Da
- Monoisotopic Mass: 170.084398327Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 215
- 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: 2.1
- Topological Polar Surface Area: 17.8?2
1H-Indazole, 1-(3-butynyl)- 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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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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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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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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