Cas no 61343-88-2 (Benzene, 1,2-dimethyl-3-phenoxy-)
61343-88-2 structure
Product Name:Benzene, 1,2-dimethyl-3-phenoxy-
CAS No:61343-88-2
MF:C14H14O
MW:198.260364055634
CID:483132
PubChem ID:13639409
Update Time:2025-04-19
Benzene, 1,2-dimethyl-3-phenoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,2-dimethyl-3-phenoxy-
- 1,2-dimethyl-3-phenoxybenzene
- Xylylphenylather
- DTXSID60545649
- 61343-88-2
- SCHEMBL2339526
-
- Inchi： 1S/C14H14O/c1-11-7-6-10-14(12(11)2)15-13-8-4-3-5-9-13/h3-10H,1-2H3
- InChI Key： NJDSBHJSXKXNMI-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)C1=CC=CC(C)=C1C
Computed Properties
- Exact Mass: 198.10452
- Monoisotopic Mass: 198.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 184
- 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: 4.2
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Benzene, 1,2-dimethyl-3-phenoxy- Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
61343-88-2 (Benzene, 1,2-dimethyl-3-phenoxy-) Related Products
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