Cas no 6626-26-2 (2-(2-but-2-enylphenoxy)acetic Acid)
6626-26-2 structure
Product Name:2-(2-but-2-enylphenoxy)acetic Acid
CAS No:6626-26-2
MF:C12H14O3
MW:206.237763881683
CID:1706561
Update Time:2024-08-30
2-(2-but-2-enylphenoxy)acetic Acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(2-but-2-enylphenoxy)acetic Acid
- 5a-morpholin-4-yl-4-phenyl-5a,6,7,8,9,9a-hexahydrodibenzo[b,d]furan-2-olato
- Acetic acid, 2-[2-(2-buten-1-yl)phenoxy]-
-
- Inchi： 1S/C12H14O3/c1-2-3-6-10-7-4-5-8-11(10)15-9-12(13)14/h2-5,7-8H,6,9H2,1H3,(H,13,14)
- InChI Key： JDCFRBIRNNBTQT-UHFFFAOYSA-N
- SMILES： C(O)(=O)COC1=CC=CC=C1CC=CC
Computed Properties
- Exact Mass: 206.09432
- Monoisotopic Mass: 206.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 223
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3
Experimental Properties
- Density: 1.245
- Melting Point: 135-136 °C(Solv: water (7732-18-5))
- Boiling Point: 531.3°C at 760 mmHg
- Flash Point: 275.1°C
- Refractive Index: 1.626
- PSA: 46.53
- LogP: 2.26860
- pka: 3.21±0.10(Predicted)
2-(2-but-2-enylphenoxy)acetic Acid Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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