Cas no 13651-57-5 (Benzenemethanol, 2,3-dimethyl-, acetate)
13651-57-5 structure
Product Name:Benzenemethanol, 2,3-dimethyl-, acetate
CAS No:13651-57-5
MF:C11H14O2
MW:178.227663516998
CID:1240737
PubChem ID:12424610
Update Time:2025-04-20
Benzenemethanol, 2,3-dimethyl-, acetate Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, 2,3-dimethyl-, acetate
- DTXSID001272789
- SCHEMBL3677313
- 13651-57-5
- Benzenemethanol, 2,3-dimethyl-, 1-acetate
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- Inchi: 1S/C11H14O2/c1-8-5-4-6-11(9(8)2)7-13-10(3)12/h4-6H,7H2,1-3H3
- InChI Key: KEJROLABEHJHPE-UHFFFAOYSA-N
- SMILES: O(C(C)=O)CC1C=CC=C(C)C=1C
Computed Properties
- Exact Mass: 178.099379685g/mol
- Monoisotopic Mass: 178.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 177
- 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: 2.3
- Topological Polar Surface Area: 26.3?2
Benzenemethanol, 2,3-dimethyl-, acetate Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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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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4. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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