Cas no 865886-99-3 (1H-Indazole-3-carboxylic acid, 5-formyl-, 1,1-dimethylethyl ester)
865886-99-3 structure
Product Name:1H-Indazole-3-carboxylic acid, 5-formyl-, 1,1-dimethylethyl ester
CAS No:865886-99-3
MF:C13H14N2O3
MW:246.261863231659
CID:1853134
PubChem ID:44558850
Update Time:2025-04-21
1H-Indazole-3-carboxylic acid, 5-formyl-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indazole-3-carboxylic acid, 5-formyl-, 1,1-dimethylethyl ester
- tert-butyl 5-forMyl-1H-indazole-3-carboxylate
- DB-433601
- 1h-indazole-3-carboxylic acid,5-formyl-,1,1-dimethylethyl ester
- 865886-99-3
- AKOS015919033
- SCHEMBL1963000
-
- Inchi: 1S/C13H14N2O3/c1-13(2,3)18-12(17)11-9-6-8(7-16)4-5-10(9)14-15-11/h4-7H,1-3H3,(H,14,15)
- InChI Key: YHQHECZJCLVHQQ-UHFFFAOYSA-N
- SMILES: O(C(C1C2C=C(C=O)C=CC=2NN=1)=O)C(C)(C)C
Computed Properties
- Exact Mass: 246.10044231Da
- Monoisotopic Mass: 246.10044231Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 338
- 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: 2.2
- Topological Polar Surface Area: 72.1?2
1H-Indazole-3-carboxylic acid, 5-formyl-, 1,1-dimethylethyl ester Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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