Cas no 73853-94-8 (Benzeneacetic acid, a-ethyl-4-methyl-, (aS)-)
73853-94-8 structure
Product Name:Benzeneacetic acid, a-ethyl-4-methyl-, (aS)-
CAS No:73853-94-8
MF:C11H14O2
MW:178.227663516998
CID:554815
Update Time:2022-07-25
Benzeneacetic acid, a-ethyl-4-methyl-, (aS)- Chemical and Physical Properties
Names and Identifiers
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- Benzeneacetic acid, a-ethyl-4-methyl-, (aS)-
- Benzeneacetic acid, -alpha--ethyl-4-methyl-, (-alpha-S)- (9CI)
- (S)-2-(4-Methylphenyl)butanoic acid
- Benzeneaceticacid, a-ethyl-4-methyl-, (S)-
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- Inchi： 1S/C11H14O2/c1-3-10(11(12)13)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3,(H,12,13)/t10-/m0/s1
- InChI Key： RTJXQMWCVNVYIW-JTQLQIEISA-N
- SMILES： C1([C@H](CC)C(O)=O)=CC=C(C)C=C1
Computed Properties
- Exact Mass: 178.099
- Monoisotopic Mass: 178.099
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 169
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 37.3A^2
Benzeneacetic acid, a-ethyl-4-methyl-, (aS)- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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