Cas no 1422957-18-3 (3-Methyl-4-pyrazol-1-ylphenol)
3-Methyl-4-pyrazol-1-ylphenol structure
Product Name:3-Methyl-4-pyrazol-1-ylphenol
CAS No:1422957-18-3
MF:C10H10N2O
MW:174.199202060699
CID:2113713
Update Time:2023-08-04
3-Methyl-4-pyrazol-1-ylphenol Chemical and Physical Properties
Names and Identifiers
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- 3-methyl-4-(1H-pyrazol-1-yl)Phenol
- 3-Methyl-4-pyrazol-1-ylphenol
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- Inchi： 1S/C10H10N2O/c1-8-7-9(13)3-4-10(8)12-6-2-5-11-12/h2-7,13H,1H3
- InChI Key： MWQJSXZVKJBTTB-UHFFFAOYSA-N
- SMILES： OC1C=CC(=C(C)C=1)N1C=CC=N1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 174
- Topological Polar Surface Area: 38
3-Methyl-4-pyrazol-1-ylphenol Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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