Cas no 61844-33-5 (3-Pentanone, 1-(2-hydroxyphenyl)-)
61844-33-5 structure
Product Name:3-Pentanone, 1-(2-hydroxyphenyl)-
CAS No:61844-33-5
MF:C11H14O2
MW:178.227663516998
CID:1633895
PubChem ID:12341729
Update Time:2025-04-21
3-Pentanone, 1-(2-hydroxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pentanone, 1-(2-hydroxyphenyl)-
- 1-(2-Hydroxyphenyl)-3-pentanone
- SCHEMBL17121690
- 61844-33-5
- DTXSID701305086
-
- Inchi： 1S/C11H14O2/c1-2-10(12)8-7-9-5-3-4-6-11(9)13/h3-6,13H,2,7-8H2,1H3
- InChI Key： AUADUXOFDWHWTG-UHFFFAOYSA-N
- SMILES： O=C(CC)CCC1C=CC=CC=1O
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: 4
- Complexity: 166
- 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: 2.1
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
3-Pentanone, 1-(2-hydroxyphenyl)- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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