Cas no 62006-51-3 (Oxirane, 2,3-bis(4-methylphenyl)-, trans-)
62006-51-3 structure
Product Name:Oxirane, 2,3-bis(4-methylphenyl)-, trans-
CAS No:62006-51-3
MF:C16H16O
MW:224.297644615173
CID:460817
PubChem ID:12963054
Update Time:2025-04-19
Oxirane, 2,3-bis(4-methylphenyl)-, trans- Chemical and Physical Properties
Names and Identifiers
-
- Oxirane, 2,3-bis(4-methylphenyl)-, trans-
- (2S,3S)-2,3-bis(4-methylphenyl)oxirane
- DTXSID00514096
- 62006-51-3
- SCHEMBL4449315
-
- Inchi： 1S/C16H16O/c1-11-3-7-13(8-4-11)15-16(17-15)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3/t15-,16-/m0/s1
- InChI Key： ZAHQDBMNEBOBDB-HOTGVXAUSA-N
- SMILES： O1[C@@H](C2C=CC(C)=CC=2)[C@@H]1C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 224.12018
- Monoisotopic Mass: 224.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 220
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 12.5?2
Experimental Properties
- PSA: 12.53
Oxirane, 2,3-bis(4-methylphenyl)-, trans- Related Literature
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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