Cas no 80720-85-0 (Benzeneacetic acid, 2-methyl-, (2-methylphenyl)methyl ester)
80720-85-0 structure
Product Name:Benzeneacetic acid, 2-methyl-, (2-methylphenyl)methyl ester
CAS No:80720-85-0
MF:C17H18O2
MW:254.323625087738
CID:705133
PubChem ID:12824790
Update Time:2025-04-19
Benzeneacetic acid, 2-methyl-, (2-methylphenyl)methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, 2-methyl-, (2-methylphenyl)methyl ester
- (2-methylphenyl)methyl 2-(2-methylphenyl)acetate
- 80720-85-0
- DTXSID40510799
- (2-Methylphenyl)methyl (2-methylphenyl)acetate
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- Inchi: 1S/C17H18O2/c1-13-7-3-5-9-15(13)11-17(18)19-12-16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3
- InChI Key: QPAWXOUPCUBTJZ-UHFFFAOYSA-N
- SMILES: O(C(CC1C=CC=CC=1C)=O)CC1C=CC=CC=1C
Computed Properties
- Exact Mass: 254.130679813g/mol
- Monoisotopic Mass: 254.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 287
- 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: 3.9
- Topological Polar Surface Area: 26.3?2
Benzeneacetic acid, 2-methyl-, (2-methylphenyl)methyl ester Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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