Cas no 169334-30-9 (2-Hexanone, 6-(4-hydroxyphenyl)-)
169334-30-9 structure
Product Name:2-Hexanone, 6-(4-hydroxyphenyl)-
CAS No:169334-30-9
MF:C12H16O2
MW:192.254243850708
CID:1356272
PubChem ID:16116547
Update Time:2025-04-20
2-Hexanone, 6-(4-hydroxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Hexanone, 6-(4-hydroxyphenyl)-
- 6-(4-hydroxyphenyl)hexan-2-one
- 169334-30-9
- DTXSID60583046
- SCHEMBL2565118
-
- Inchi： 1S/C12H16O2/c1-10(13)4-2-3-5-11-6-8-12(14)9-7-11/h6-9,14H,2-5H2,1H3
- InChI Key： YHDMIGOYDMEUIW-UHFFFAOYSA-N
- SMILES： O=C(C)CCCCC1C=CC(=CC=1)O
Computed Properties
- Exact Mass: 192.11508
- Monoisotopic Mass: 192.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 169
- 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: 2.4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-Hexanone, 6-(4-hydroxyphenyl)- Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
169334-30-9 (2-Hexanone, 6-(4-hydroxyphenyl)-) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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