Cas no 61947-70-4 (Benzeneacetic acid, 4-(3-methyl-1-triazenyl)-)
61947-70-4 structure
Product Name:Benzeneacetic acid, 4-(3-methyl-1-triazenyl)-
CAS No:61947-70-4
MF:C9H11N3O2
MW:193.202541589737
CID:462644
PubChem ID:71391081
Update Time:2025-04-19
Benzeneacetic acid, 4-(3-methyl-1-triazenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, 4-(3-methyl-1-triazenyl)-
- 2-[4-(2-methyliminohydrazinyl)phenyl]acetic acid
- {4-[(2E)-3-Methyltriaz-2-en-1-yl]phenyl}acetic acid
- 61947-70-4
- DTXSID00812968
-
- Inchi： 1S/C9H11N3O2/c1-10-12-11-8-4-2-7(3-5-8)6-9(13)14/h2-5H,6H2,1H3,(H,10,11)(H,13,14)
- InChI Key： PGOFJNSFTFZODJ-UHFFFAOYSA-N
- SMILES： OC(CC1C=CC(=CC=1)N/N=N/C)=O
Computed Properties
- Exact Mass: 193.08523
- Monoisotopic Mass: 193.085126602g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 210
- 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: 1.8
- Topological Polar Surface Area: 74?2
Experimental Properties
- PSA: 74.05
Benzeneacetic acid, 4-(3-methyl-1-triazenyl)- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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