Cas no 21782-87-6 (2,5-Dihydroxy-benzoesaeure-benzylester)
21782-87-6 structure
Product Name:2,5-Dihydroxy-benzoesaeure-benzylester
CAS No:21782-87-6
MF:C14H12O4
MW:244.242684364319
CID:2060101
PubChem ID:11322503
Update Time:2025-04-21
2,5-Dihydroxy-benzoesaeure-benzylester Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Dihydroxy-benzoesaeure-benzylester
- 2,5-dihydroxy-benzoic acid benzyl ester
- Benzyl 2,5-dihydroxy benzoate
- benzyl gentisate
- Trichocarpigenin
- trithiocarpigenin
- Benzyl 2,5-dihydroxybenzoate
- 21782-87-6
- trichocarpinene
- CHEBI:155896
- AKOS024390278
- phenylmethyl 2,5-dihydroxybenzoate
- 2,5-Dihydroxybenzoic acid benzyl ester
- SCHEMBL1655944
- Benzyl gentisic acid
-
- Inchi： 1S/C14H12O4/c15-11-6-7-13(16)12(8-11)14(17)18-9-10-4-2-1-3-5-10/h1-8,15-16H,9H2
- InChI Key： LRYANVPYFCKCCR-UHFFFAOYSA-N
- SMILES： O(C(C1C=C(C=CC=1O)O)=O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 244.07355886g/mol
- Monoisotopic Mass: 244.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 273
- 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: 3.1
- Topological Polar Surface Area: 66.8?2
2,5-Dihydroxy-benzoesaeure-benzylester Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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