Cas no 58893-45-1 (4H-Isoxazolo[3,4-d]azepin-3-ol,5,6,7,8-tetrahydro-)
![4H-Isoxazolo[3,4-d]azepin-3-ol,5,6,7,8-tetrahydro- structure](https://ossimg.kuujia.com/scimg/59000/58893-45-1x500.png)
58893-45-1 structure
Product Name:4H-Isoxazolo[3,4-d]azepin-3-ol,5,6,7,8-tetrahydro-
CAS No:58893-45-1
MF:C7H10N2O2
MW:154.166501522064
CID:374911
PubChem ID:3047783
Update Time:2025-04-19
4H-Isoxazolo[3,4-d]azepin-3-ol,5,6,7,8-tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- 4H-Isoxazolo[3,4-d]azepin-3-ol,5,6,7,8-tetrahydro-
- 1,4,5,6,7,8-hexahydro-[1,2]oxazolo[3,4-d]azepin-3-one
- 4H-Isoxazolo[3,4-d]azepin-3-ol,5,6,7,8-tetrahydro-(9CI)
- AKOS006311016
- 58893-45-1
- 5,6,7,8-tetrahydro-4h-isoxazolo[3,4-d]azepin-3-ol
- 4H-Isoxazolo(3,4-d)azepin-3-ol, 5,6,7,8-tetrahydro-
- Iso-thaz
- DTXSID20901661
- Isothaz
- CHEMBL292757
- 1,4,5,6,7,8-Hexahydro-3H-[1,2]oxazolo[3,4-d]azepin-3-one
- NoName_797
- DTXSID70974401
- BDBM50226142
-
- Inchi： 1S/C7H10N2O2/c10-7-5-1-3-8-4-2-6(5)9-11-7/h8-9H,1-4H2
- InChI Key： HJYDVFJJXSVJQI-UHFFFAOYSA-N
- SMILES： O1C(C2=C(CCNCC2)N1)=O
Computed Properties
- Exact Mass: 154.0743
- Monoisotopic Mass: 154.074228
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 223
- 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
- Topological Polar Surface Area: 50.4
- XLogP3: 0.2
Experimental Properties
- Density: 1.29
- Boiling Point: 266.8°C at 760 mmHg
- Flash Point: 115.2°C
- Refractive Index: 1.568
- PSA: 50.36
4H-Isoxazolo[3,4-d]azepin-3-ol,5,6,7,8-tetrahydro- Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
3. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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