Cas no 64524-88-5 (Naphthalene, 5-ethynyl-1,4-dimethyl-)
64524-88-5 structure
Product Name:Naphthalene, 5-ethynyl-1,4-dimethyl-
CAS No:64524-88-5
MF:C14H12
MW:180.245083808899
CID:423239
PubChem ID:71379733
Update Time:2025-04-19
Naphthalene, 5-ethynyl-1,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Naphthalene, 5-ethynyl-1,4-dimethyl-
- 5-ethynyl-1,4-dimethylnaphthalene
- DTXSID20802280
- 64524-88-5
-
- Inchi： 1S/C14H12/c1-4-12-6-5-7-13-10(2)8-9-11(3)14(12)13/h1,5-9H,2-3H3
- InChI Key： IURIUWFAMQJMQQ-UHFFFAOYSA-N
- SMILES： C12C(C#C)=CC=CC1=C(C)C=CC=2C
Computed Properties
- Exact Mass: 180.09396
- Monoisotopic Mass: 180.093900383g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 244
- 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: 4.8
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Naphthalene, 5-ethynyl-1,4-dimethyl- Related Literature
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
64524-88-5 (Naphthalene, 5-ethynyl-1,4-dimethyl-) Related Products
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