Cas no 113370-12-0 ()
structure
Product Name:
CAS No:113370-12-0
MF:C12H15NO2
MW:205.253003358841
CID:6769971
PubChem ID:19890445
Update Time:2024-03-03
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C12H15NO2/c1-2-3-6-15-12-8-10-9(4-5-13-10)7-11(12)14/h4-5,7-8,13-14H,2-3,6H2,1H3
- InChI Key： VXERAZKPCRAQKZ-UHFFFAOYSA-N
- SMILES： O(C1C(=CC2C=CNC=2C=1)O)CCCC
Computed Properties
- Exact Mass: 205.110278721g/mol
- Monoisotopic Mass: 205.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 198
- 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: 2.9
- Topological Polar Surface Area: 45.2?2
Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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