Cas no 850569-75-4 (1,2-Benzenedimethanol,-alpha--ethynyl-(9CI))
850569-75-4 structure
Product Name:1,2-Benzenedimethanol,-alpha--ethynyl-(9CI)
CAS No:850569-75-4
MF:C10H10O2
MW:162.185203075409
CID:989963
Update Time:2023-03-27
1,2-Benzenedimethanol,-alpha--ethynyl-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 1,2-Benzenedimethanol,-alpha--ethynyl-(9CI)
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- Inchi： 1S/C10H10O2/c1-2-10(12)9-6-4-3-5-8(9)7-11/h1,3-6,10-12H,7H2
- InChI Key： OVTHBVMJZBECPJ-UHFFFAOYSA-N
- SMILES： C(C1=CC=CC=C1CO)(O)C#C
Computed Properties
- Exact Mass: 162.068
- Monoisotopic Mass: 162.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 180
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.5A^2
1,2-Benzenedimethanol,-alpha--ethynyl-(9CI) Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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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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Jason Wan Lab Chip, 2020,20, 4528-4538
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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