Cas no 135689-01-9 (2-Butanone, 4-hydroxy-4-(4-methylphenyl)-)
135689-01-9 structure
Product Name:2-Butanone, 4-hydroxy-4-(4-methylphenyl)-
CAS No:135689-01-9
MF:C11H14O2
MW:178.227663516998
CID:1238946
PubChem ID:14268470
Update Time:2025-04-20
2-Butanone, 4-hydroxy-4-(4-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butanone, 4-hydroxy-4-(4-methylphenyl)-
- 4-hydroxy-4-(4-methylphenyl)butan-2-one
- SCHEMBL7453255
- DTXSID30558206
- 135689-01-9
-
- Inchi： 1S/C11H14O2/c1-8-3-5-10(6-4-8)11(13)7-9(2)12/h3-6,11,13H,7H2,1-2H3
- InChI Key： APHJOOVAEFILGI-UHFFFAOYSA-N
- SMILES： OC(CC(C)=O)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 178.09942
- Monoisotopic Mass: 178.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 169
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-Butanone, 4-hydroxy-4-(4-methylphenyl)- Related Literature
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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