Cas no 13137-27-4 ()
structure
Product Name:
CAS No:13137-27-4
MF:C10H13N5O2
MW:235.242521047592
CID:898595
PubChem ID:261564
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C10H13N5O2/c1-5-2-6(16)10(17-5)15-4-14-7-8(11)12-3-13-9(7)15/h3-6,10,16H,2H2,1H3,(H2,11,12,13)
- InChI Key： WVZQHHLJBYLMKB-UHFFFAOYSA-N
- SMILES： O1C(C)CC(C1N1C=NC2C(N)=NC=NC1=2)O
Computed Properties
- Exact Mass: 235.10692467g/mol
- Monoisotopic Mass: 235.10692467g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 292
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.2
- Topological Polar Surface Area: 99.1?2
Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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