Cas no 1190392-74-5 (4-Methoxy-2-(1H-pyrazol-1-yl)butanoic acid)
1190392-74-5 structure
Product Name:4-Methoxy-2-(1H-pyrazol-1-yl)butanoic acid
CAS No:1190392-74-5
MF:C8H12N2O3
MW:184.192481994629
CID:2124274
Update Time:2023-08-04
4-Methoxy-2-(1H-pyrazol-1-yl)butanoic acid Chemical and Physical Properties
Names and Identifiers
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- 4-methoxy-2-(1H-pyrazol-1-yl)butanoic acid
- RFEULEHCIBIURN-UHFFFAOYSA-N
- 4-Methoxy-2-(1H-pyrazol-1-yl)butanoic acid
-
- Inchi： 1S/C8H12N2O3/c1-13-6-3-7(8(11)12)10-5-2-4-9-10/h2,4-5,7H,3,6H2,1H3,(H,11,12)
- InChI Key： RFEULEHCIBIURN-UHFFFAOYSA-N
- SMILES： O(C)CCC(C(=O)O)N1C=CC=N1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 175
- Topological Polar Surface Area: 64.4
4-Methoxy-2-(1H-pyrazol-1-yl)butanoic acid Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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