Cas no 107430-43-3 (2-[4-(hydroxymethyl)phenyl]-5-methyl-4h-pyrazol-3-one)
![2-[4-(hydroxymethyl)phenyl]-5-methyl-4h-pyrazol-3-one structure](https://ossimg.kuujia.com/scimg/107500/107430-43-3x500.png)
107430-43-3 structure
Product Name:2-[4-(hydroxymethyl)phenyl]-5-methyl-4h-pyrazol-3-one
CAS No:107430-43-3
MF:C11H12N2O2
MW:204.225182533264
CID:1183442
PubChem ID:10307944
Update Time:2025-04-20
2-[4-(hydroxymethyl)phenyl]-5-methyl-4h-pyrazol-3-one Chemical and Physical Properties
Names and Identifiers
-
- 2-[4-(hydroxymethyl)phenyl]-5-methyl-4h-pyrazol-3-one
- 107430-43-3
- 1-(4-(Hydroxymethyl)phenyl)-3-methyl-1H-pyrazol-5(4H)-one
- DTXSID40437891
- SCHEMBL4663098
- 2-[4-(Hydroxymethyl)phenyl]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
- 1-(4-hydroxymethylphenyl)-3-methyl-2-pyrazolin-5-one
- NYCKNDCJKMLXJE-UHFFFAOYSA-N
-
- Inchi： 1S/C11H12N2O2/c1-8-6-11(15)13(12-8)10-4-2-9(7-14)3-5-10/h2-5,14H,6-7H2,1H3
- InChI Key： NYCKNDCJKMLXJE-UHFFFAOYSA-N
- SMILES： O=C1CC(C)=NN1C1C=CC(CO)=CC=1
Computed Properties
- Exact Mass: 204.089877630g/mol
- Monoisotopic Mass: 204.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 280
- 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: 0.4
- Topological Polar Surface Area: 52.9?2
Experimental Properties
- PSA: 52.90000
- LogP: 0.79210
2-[4-(hydroxymethyl)phenyl]-5-methyl-4h-pyrazol-3-one Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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