Cas no 70156-94-4 (1,3-Benzodioxole-5-carboxamide, N-hydroxy-)
70156-94-4 structure
Product Name:1,3-Benzodioxole-5-carboxamide, N-hydroxy-
CAS No:70156-94-4
MF:C8H7NO4
MW:181.145482301712
CID:1741705
PubChem ID:11513867
Update Time:2025-04-21
1,3-Benzodioxole-5-carboxamide, N-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodioxole-5-carboxamide, N-hydroxy-
- N-hydroxy-1,3-benzodioxole-5-carboxamide
- SCHEMBL18359200
- 70156-94-4
- DTXSID40467830
- AKOS000193199
-
- Inchi： 1S/C8H7NO4/c10-8(9-11)5-1-2-6-7(3-5)13-4-12-6/h1-3,11H,4H2,(H,9,10)
- InChI Key： TUYGZHSBHMWCEK-UHFFFAOYSA-N
- SMILES： O1COC2C=CC(C(NO)=O)=CC1=2
Computed Properties
- Exact Mass: 181.03751
- Monoisotopic Mass: 181.03750770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 208
- 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: 67.8?2
Experimental Properties
- PSA: 67.79
1,3-Benzodioxole-5-carboxamide, N-hydroxy- Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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