Cas no 1936263-80-7 ()
structure
Product Name:
CAS No:1936263-80-7
MF:C6H9N3O
MW:139.155160665512
CID:6770084
PubChem ID:91812207
Update Time:2024-03-03
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C6H9N3O/c1-4-8-3-5(10)6(7-2)9-4/h3,10H,1-2H3,(H,7,8,9)
- InChI Key： MHVDOFRKZCHGTK-UHFFFAOYSA-N
- SMILES： OC1=CN=C(C)N=C1NC
Computed Properties
- Exact Mass: 139.074561919g/mol
- Monoisotopic Mass: 139.074561919g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 109
- 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: 0.6
- Topological Polar Surface Area: 58?2
Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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