Cas no 62706-80-3 (2,4-Hexadiyn-1-ol, 6-(2-nitrophenoxy)-)
62706-80-3 structure
Product Name:2,4-Hexadiyn-1-ol, 6-(2-nitrophenoxy)-
CAS No:62706-80-3
MF:C12H9NO4
MW:231.204163312912
CID:434523
PubChem ID:71383615
Update Time:2025-04-19
2,4-Hexadiyn-1-ol, 6-(2-nitrophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Hexadiyn-1-ol, 6-(2-nitrophenoxy)-
- 6-(2-nitrophenoxy)hexa-2,4-diyn-1-ol
- DTXSID90805920
- 62706-80-3
-
- Inchi： 1S/C12H9NO4/c14-9-5-1-2-6-10-17-12-8-4-3-7-11(12)13(15)16/h3-4,7-8,14H,9-10H2
- InChI Key： QGLSIAOKILNTGC-UHFFFAOYSA-N
- SMILES： O(CC#CC#CCO)C1C=CC=CC=1[N+](=O)[O-]
Computed Properties
- Exact Mass: 231.05317
- Monoisotopic Mass: 231.05315777g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 386
- 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: 1.1
- Topological Polar Surface Area: 75.3?2
Experimental Properties
- PSA: 72.6
2,4-Hexadiyn-1-ol, 6-(2-nitrophenoxy)- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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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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5. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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