Cas no 52262-23-4 (1-Butanone,1-phenyl-, trihydroxy deriv.)
52262-23-4 structure
Product Name:1-Butanone,1-phenyl-, trihydroxy deriv.
CAS No:52262-23-4
MF:C10H12O4
MW:196.199883460999
CID:387319
PubChem ID:179599
Update Time:2025-04-19
1-Butanone,1-phenyl-, trihydroxy deriv. Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanone,1-phenyl-, trihydroxy deriv.
- 2,2,3-trihydroxy-1-phenylbutan-1-one
- 1-Butanone, 1-phenyl-, trihydroxy deriv.
- DTXSID00966637
- 52262-23-4
- SCHEMBL43695
-
- Inchi： 1S/C10H12O4/c1-7(11)10(13,14)9(12)8-5-3-2-4-6-8/h2-7,11,13-14H,1H3
- InChI Key： HDQXEDYPJZYWPY-UHFFFAOYSA-N
- SMILES： OC(C(C1C=CC=CC=1)=O)(C(C)O)O
Computed Properties
- Exact Mass: 196.07356
- Monoisotopic Mass: 196.073559
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 206
- 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
- Topological Polar Surface Area: 77.8
- XLogP3: 0
Experimental Properties
- Density: 1.335
- Boiling Point: 394.6°Cat760mmHg
- Flash Point: 206.6°C
- Refractive Index: 1.597
- PSA: 77.76
1-Butanone,1-phenyl-, trihydroxy deriv. Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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