Cas no 114943-43-0 (4-(4-acetyloxybenzoyl)oxybenzoic acid)
114943-43-0 structure
Product Name:4-(4-acetyloxybenzoyl)oxybenzoic acid
CAS No:114943-43-0
MF:C16H12O6
MW:300.262885093689
CID:2613416
PubChem ID:19348958
Update Time:2025-04-21
4-(4-acetyloxybenzoyl)oxybenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-(4-acetyloxybenzoyl)oxybenzoic acid
- 4-(4-acetoxybenzoyloxy)benzoic acid
- 4-{[4-(Acetyloxy)benzoyl]oxy}benzoic acid
- SCHEMBL7794416
- DTXSID00598255
- JZJLRNMWQPRPOY-UHFFFAOYSA-N
- 114943-43-0
-
- Inchi： 1S/C16H12O6/c1-10(17)21-13-8-4-12(5-9-13)16(20)22-14-6-2-11(3-7-14)15(18)19/h2-9H,1H3,(H,18,19)
- InChI Key： JZJLRNMWQPRPOY-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=CC=1)OC(C)=O)=O)C1C=CC(C(=O)O)=CC=1
Computed Properties
- Exact Mass: 300.06338810Da
- Monoisotopic Mass: 300.06338810Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 6
- Complexity: 416
- 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: 2.6
- Topological Polar Surface Area: 89.9?2
4-(4-acetyloxybenzoyl)oxybenzoic acid Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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