Cas no 58880-54-9 (Phenol, 3-(3,5-dimethyl-1H-pyrazol-1-yl)-)
58880-54-9 structure
Product Name:Phenol, 3-(3,5-dimethyl-1H-pyrazol-1-yl)-
CAS No:58880-54-9
MF:C11H12N2O
MW:188.225782394409
CID:340534
PubChem ID:54525851
Update Time:2025-04-19
Phenol, 3-(3,5-dimethyl-1H-pyrazol-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 3-(3,5-dimethyl-1H-pyrazol-1-yl)-
- 3-(3,5-dimethylpyrazol-1-yl)phenol
- SCHEMBL2616605
- 58880-54-9
- DTXSID60711963
- 3-(3,5-Dimethyl-1H-pyrazol-1-yl)phenol
- AKOS013758622
- YTBANLASGMTYSQ-UHFFFAOYSA-N
-
- Inchi： 1S/C11H12N2O/c1-8-6-9(2)13(12-8)10-4-3-5-11(14)7-10/h3-7,14H,1-2H3
- InChI Key： YTBANLASGMTYSQ-UHFFFAOYSA-N
- SMILES： OC1=CC=CC(=C1)N1C(C)=CC(C)=N1
Computed Properties
- Exact Mass: 188.09506
- Monoisotopic Mass: 188.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 198
- 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
- XLogP3: 2.3
- Topological Polar Surface Area: 38?2
Experimental Properties
- PSA: 38.05
Phenol, 3-(3,5-dimethyl-1H-pyrazol-1-yl)- Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
58880-54-9 (Phenol, 3-(3,5-dimethyl-1H-pyrazol-1-yl)-) Related Products
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