Cas no 57281-56-8 (Benzenemethanol, 3-(acetyloxy)-, acetate)
57281-56-8 structure
Product Name:Benzenemethanol, 3-(acetyloxy)-, acetate
CAS No:57281-56-8
MF:C11H12O4
MW:208.210583686829
CID:345877
PubChem ID:10250213
Update Time:2025-04-19
Benzenemethanol, 3-(acetyloxy)-, acetate Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, 3-(acetyloxy)-, acetate
- acetic acid,[3-(hydroxymethyl)phenyl] acetate
- LJP89KU2E4
- m-Acetoxybenzyl acetate
- SCHEMBL10351327
- 57281-56-8
- Benzenemethanol, 3-(acetyloxy)-, 1-acetate
- 3-acetoxybenzyl acetate
- UNII-LJP89KU2E4
-
- Inchi： 1S/C11H12O4/c1-8(12)14-7-10-4-3-5-11(6-10)15-9(2)13/h3-6H,7H2,1-2H3
- InChI Key： ATUFHKJONOEKHQ-UHFFFAOYSA-N
- SMILES： O(C(C)=O)CC1C=CC=C(C=1)OC(C)=O
Computed Properties
- Exact Mass: 226.08412
- Monoisotopic Mass: 208.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 237
- 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: 1.8
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 83.83
Benzenemethanol, 3-(acetyloxy)-, acetate Related Literature
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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