Cas no 5434-75-3 (Benzoic acid,4-hydroxy-, 3-methylbutyl ester, zinc salt (2:1))
5434-75-3 structure
Product Name:Benzoic acid,4-hydroxy-, 3-methylbutyl ester, zinc salt (2:1)
CAS No:5434-75-3
MF:C12H16O3Zn
MW:273.662640571594
CID:382456
PubChem ID:54609279
Update Time:2025-04-19
Benzoic acid,4-hydroxy-, 3-methylbutyl ester, zinc salt (2:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-hydroxy-, 3-methylbutyl ester, zinc salt (2:1)
- Benzoicacid, 4-hydroxy-, 3-methylbutyl ester, zinc salt (9CI)
- 3-methylbutyl 4-hydroxybenzoate
- 5434-75-3
- NSC13169
- NSC-13169
-
- Inchi： 1S/C12H16O3.Zn/c1-9(2)7-8-15-12(14)10-3-5-11(13)6-4-10;/h3-6,9,13H,7-8H2,1-2H3;/q;+2
- InChI Key： ZXRBVYWDAROUCA-UHFFFAOYSA-N
- SMILES： [Zn+2].O(C(C1C=CC(=CC=1)O)=O)CCC(C)C
Computed Properties
- Exact Mass: 208.10998
- Monoisotopic Mass: 272.039086g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 193
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
- LogP: 2.59260
Benzoic acid,4-hydroxy-, 3-methylbutyl ester, zinc salt (2:1) Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Weixuan Zeng,Ouissam El Bakouri,Henrik Ottosson Chem. Sci., 2021,12, 6159-6171
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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