Cas no 192944-53-9 (Ethyl 1-(3-oxopropyl)-1H-indazole-5-carboxylate)
192944-53-9 structure
Product Name:Ethyl 1-(3-oxopropyl)-1H-indazole-5-carboxylate
CAS No:192944-53-9
MF:C13H14N2O3
MW:246.261863231659
CID:2108645
Update Time:2023-08-03
Ethyl 1-(3-oxopropyl)-1H-indazole-5-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 1-(3-oxopropyl)-1H-indazole-5-carboxylate
- VDRCYOOQHVDCBT-UHFFFAOYSA-N
- Ethyl 1-(3-oxopropyl)-1H-indazole-5-carboxylate
-
- Inchi： 1S/C13H14N2O3/c1-2-18-13(17)10-4-5-12-11(8-10)9-14-15(12)6-3-7-16/h4-5,7-9H,2-3,6H2,1H3
- InChI Key： VDRCYOOQHVDCBT-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=CC2=C(C=NN2CCC=O)C=1)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 309
- Topological Polar Surface Area: 61.2
Ethyl 1-(3-oxopropyl)-1H-indazole-5-carboxylate Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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