Cas no 107430-39-7 (3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(1-naphthalenyl)-)
107430-39-7 structure
Product Name:3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(1-naphthalenyl)-
CAS No:107430-39-7
MF:C14H12N2O
MW:224.257883071899
CID:1183521
Update Time:2024-08-02
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(1-naphthalenyl)- Chemical and Physical Properties
Names and Identifiers
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- 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(1-naphthalenyl)-
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- Inchi： 1S/C14H12N2O/c1-10-9-14(17)16(15-10)13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9H2,1H3
- InChI Key： BTUGYRPOCOUJAE-UHFFFAOYSA-N
- SMILES： N1=C(C)CC(=O)N1C1=C2C(C=CC=C2)=CC=C1
Computed Properties
- Exact Mass: 224.095
- Monoisotopic Mass: 224.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 350
- 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
Experimental Properties
- Density: 1.21±0.1 g/cm3(Predicted)
- Melting Point: 170-172 °C
- Boiling Point: 435.4±14.0 °C(Predicted)
- pka: 2.73±0.50(Predicted)
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(1-naphthalenyl)- Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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