Cas no 5457-07-8 (Benzeneacetic acid, a-(hydroxymethyl)-, hydrazide,hydrochloride (1:1))
5457-07-8 structure
Product Name:Benzeneacetic acid, a-(hydroxymethyl)-, hydrazide,hydrochloride (1:1)
CAS No:5457-07-8
MF:C9H13ClN2O2
MW:216.664721250534
CID:380699
PubChem ID:54609299
Update Time:2025-04-19
Benzeneacetic acid, a-(hydroxymethyl)-, hydrazide,hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, a-(hydroxymethyl)-, hydrazide,hydrochloride (1:1)
- 3-Hydroxy-2-phenylpropanehydrazide--hydrogen chloride (1/1)
- NSC21321
- DTXSID60714878
- 5457-07-8
- NSC-21321
-
- Inchi： 1S/C9H12N2O2.ClH/c10-11-9(13)8(6-12)7-4-2-1-3-5-7;/h1-5,8,12H,6,10H2,(H,11,13);1H
- InChI Key： LLKNLGCAAAWXNR-UHFFFAOYSA-N
- SMILES： Cl.OCC(C(NN)=O)C1C=CC=CC=1
Computed Properties
- Exact Mass: 180.08996
- Monoisotopic Mass: 216.0665554g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 167
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 75.4?2
Experimental Properties
- PSA: 75.35
Benzeneacetic acid, a-(hydroxymethyl)-, hydrazide,hydrochloride (1:1) Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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