Cas no 1027991-36-1 (methyl 1-acetyl-1H-indazole-4-carboxylate)
1027991-36-1 structure
Product Name:methyl 1-acetyl-1H-indazole-4-carboxylate
CAS No:1027991-36-1
MF:C11H10N2O3
MW:218.20870256424
CID:1096786
PubChem ID:10488993
Update Time:2025-04-20
methyl 1-acetyl-1H-indazole-4-carboxylate Chemical and Physical Properties
Names and Identifiers
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- methyl 1-acetyl-1H-indazole-4-carboxylate
- 1027991-36-1
- Methyl 1-acetylindazole-4-carboxylate
- 1H-Indazole-4-carboxylicacid,1-acetyl-,methylester
- F18721
- 1H-Indazole-4-carboxylic acid, 1-acetyl-, methyl ester
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- Inchi: 1S/C11H10N2O3/c1-7(14)13-10-5-3-4-8(11(15)16-2)9(10)6-12-13/h3-6H,1-2H3
- InChI Key: MMKDEAKAESYKJO-UHFFFAOYSA-N
- SMILES: O(C)C(C1=CC=CC2=C1C=NN2C(C)=O)=O
Computed Properties
- Exact Mass: 218.069142g/mol
- Monoisotopic Mass: 218.069142g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 306
- 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
- Molecular Weight: 218.21g/mol
- XLogP3: 1.3
- Topological Polar Surface Area: 61.2?2
methyl 1-acetyl-1H-indazole-4-carboxylate Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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