Cas no 269086-09-1 (Phenol, 4,5-diethynyl-2-methoxy-)
269086-09-1 structure
Product Name:Phenol, 4,5-diethynyl-2-methoxy-
CAS No:269086-09-1
MF:C11H8O2
MW:172.180023193359
CID:1429271
PubChem ID:11480716
Update Time:2025-04-20
Phenol, 4,5-diethynyl-2-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 4,5-diethynyl-2-methoxy-
- 4,5-diethynyl-2-methoxyphenol
- DTXSID20467191
- 269086-09-1
-
- Inchi: 1S/C11H8O2/c1-4-8-6-10(12)11(13-3)7-9(8)5-2/h1-2,6-7,12H,3H3
- InChI Key: VLSHDDSPUKYLCV-UHFFFAOYSA-N
- SMILES: O(C)C1C=C(C#C)C(C#C)=CC=1O
Computed Properties
- Exact Mass: 172.05244
- Monoisotopic Mass: 172.052429494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 264
- 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: 29.5?2
Experimental Properties
- PSA: 29.46
Phenol, 4,5-diethynyl-2-methoxy- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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