Cas no 13620-82-1 ((2-acetyloxy-5-prop-2-enyl-phenyl) acetate)
13620-82-1 structure
Product Name:(2-acetyloxy-5-prop-2-enyl-phenyl) acetate
CAS No:13620-82-1
MF:C13H14O4
MW:234.247864246368
CID:837760
PubChem ID:166872
Update Time:2025-04-19
(2-acetyloxy-5-prop-2-enyl-phenyl) acetate Chemical and Physical Properties
Names and Identifiers
-
- (2-acetyloxy-5-prop-2-enyl-phenyl) acetate
- (2-acetyloxy-4-prop-2-enylphenyl) acetate
- 4-ALLYLPYROCATECHOL DIACETATE
- Allylpyrocatechol 3,4-diacetate
- 1,2-Diacetoxy-4-allylbenzene
- Allylpyrocatechol diacetate
- 4-Allyl-1,2-diacetoxybenzene
- 4-Allylcatechol diacetate
- Allylpyrocatechol -3,4-diacetate
- 4-(2-Propenyl)-1,2-benzenediol 1,2-diacetate
-
- Inchi： 1S/C13H14O4/c1-4-5-11-6-7-12(16-9(2)14)13(8-11)17-10(3)15/h4,6-8H,1,5H2,2-3H3
- InChI Key： OLBAYJUQWFSQAY-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1=C(C=CC(=C1)CC=C)OC(C)=O
Computed Properties
- Exact Mass: 234.08922
- Monoisotopic Mass: 234.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 298
- 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: 52.6?2
Experimental Properties
- Density: 1.120
- Flash Point: 148℃
- PSA: 52.6
(2-acetyloxy-5-prop-2-enyl-phenyl) acetate Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
13620-82-1 ((2-acetyloxy-5-prop-2-enyl-phenyl) acetate) Related Products
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