Cas no 1439401-17-8 ()
structure
Product Name:
CAS No:1439401-17-8
MF:C10H10N2O
MW:174.199202060699
CID:6769893
PubChem ID:10678817
Update Time:2024-03-03
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C10H10N2O/c1-6-3-4-8-9(13)5-7(2)12-10(8)11-6/h3-5H,1-2H3,(H,11,12,13)
- InChI Key： KSLLTJJSGWXUMZ-UHFFFAOYSA-N
- SMILES： O=C1C=C(C)NC2C1=CC=C(C)N=2
Computed Properties
- Exact Mass: 174.079312947g/mol
- Monoisotopic Mass: 174.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 260
- 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: 1.6
- Topological Polar Surface Area: 42?2
Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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