Cas no 1249524-34-2 (5-cyclopropyl-4-iodo-1-methyl-1H-pyrazole-3-carboxylic acid)
1249524-34-2 structure
Product Name:5-cyclopropyl-4-iodo-1-methyl-1H-pyrazole-3-carboxylic acid
CAS No:1249524-34-2
MF:C8H9IN2O2
MW:292.073734045029
CID:5231633
Update Time:2023-08-26
5-cyclopropyl-4-iodo-1-methyl-1H-pyrazole-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 5-cyclopropyl-4-iodo-1-methyl-1H-pyrazole-3-carboxylic acid
- STL584530
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- Inchi： 1S/C8H9IN2O2/c1-11-7(4-2-3-4)5(9)6(10-11)8(12)13/h4H,2-3H2,1H3,(H,12,13)
- InChI Key： WVQHTRYPAFSSHG-UHFFFAOYSA-N
- SMILES： IC1C(C(=O)O)=NN(C)C=1C1CC1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 232
- XLogP3: 1.3
- Topological Polar Surface Area: 55.1
5-cyclopropyl-4-iodo-1-methyl-1H-pyrazole-3-carboxylic acid Related Literature
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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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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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