Cas no 127951-75-1 ()
structure
Product Name:
CAS No:127951-75-1
MF:C10H11NO2
MW:177.199842691422
CID:6769976
PubChem ID:119084362
Update Time:2024-03-03
Chemical and Physical Properties
Names and Identifiers
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- Inchi: 1S/C10H11NO2/c1-2-13-10-5-7-3-4-11-8(7)6-9(10)12/h3-6,11-12H,2H2,1H3
- InChI Key: CHDBVOSKDYBQCO-UHFFFAOYSA-N
- SMILES: O(CC)C1C(=CC2=C(C=CN2)C=1)O
Computed Properties
- Exact Mass: 177.078978594g/mol
- Monoisotopic Mass: 177.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 174
- 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
- Topological Polar Surface Area: 45.2?2
Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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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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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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