Cas no 7007-11-6 (2-(3,5-Dimethyl-pyrazol-1-yl)-butyric acid)
7007-11-6 structure
Product Name:2-(3,5-Dimethyl-pyrazol-1-yl)-butyric acid
CAS No:7007-11-6
MF:C9H14N2O2
MW:182.219662189484
CID:1070837
PubChem ID:5230535
Update Time:2025-04-20
2-(3,5-Dimethyl-pyrazol-1-yl)-butyric acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(3,5-Dimethyl-pyrazol-1-yl)-butyric acid
- 2-(3,5-dimethylpyrazolyl)butanoic acid
- AC1NQXU2
- AG-A-29446
- CTK6C9088
- MolPort-000-183-314
- SBB009404
- 2-(3,5-Dimethyl-1H-pyrazol-1-yl)butanoicacid
- CS-0335857
- AKOS000300153
- 957491-07-5
- 7007-11-6
- DTXSID60411754
- 2-(3,5-Dimethyl-1H-pyrazol-1-yl)butanoic acid
- AKOS016054914
- 2-(3,5-dimethylpyrazol-1-yl)butanoic acid
-
- Inchi： 1S/C9H14N2O2/c1-4-8(9(12)13)11-7(3)5-6(2)10-11/h5,8H,4H2,1-3H3,(H,12,13)
- InChI Key： CONQUOLOKOQXAX-UHFFFAOYSA-N
- SMILES： OC(C(CC)N1C(C)=CC(C)=N1)=O
Computed Properties
- Exact Mass: 182.10562
- Monoisotopic Mass: 182.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 196
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 55.1?2
Experimental Properties
- PSA: 55.12
2-(3,5-Dimethyl-pyrazol-1-yl)-butyric acid Security Information
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Hazardous Material Identification：
- HazardClass：IRRITANT
2-(3,5-Dimethyl-pyrazol-1-yl)-butyric acid Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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