Cas no 53120-18-6 (methyl, carboxy[4-(1,1-dimethylethyl)phenyl]- (9ci))
![methyl, carboxy[4-(1,1-dimethylethyl)phenyl]- (9ci) structure](https://ossimg.kuujia.com/scimg/53500/53120-18-6x500.png)
53120-18-6 structure
Product Name:methyl, carboxy[4-(1,1-dimethylethyl)phenyl]- (9ci)
CAS No:53120-18-6
MF:C12H15O2
MW:191.246303796768
CID:937975
PubChem ID:102602623
Update Time:2025-04-19
methyl, carboxy[4-(1,1-dimethylethyl)phenyl]- (9ci) Chemical and Physical Properties
Names and Identifiers
-
- methyl, carboxy[4-(1,1-dimethylethyl)phenyl]- (9ci)
- 53120-18-6
- Methyl,carboxy[4-(1,1-dimethylethyl)phenyl]-(9ci)
-
- Inchi： 1S/C12H15O2/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h4-8H,1-3H3,(H,13,14)
- InChI Key： CGLCCKMTQUABRG-UHFFFAOYSA-N
- SMILES： OC([CH]C1C=CC(=CC=1)C(C)(C)C)=O |^1:2|
Computed Properties
- Exact Mass: 191.107204717g/mol
- Monoisotopic Mass: 191.107204717g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 195
- 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: 3.2
- Topological Polar Surface Area: 37.3?2
methyl, carboxy[4-(1,1-dimethylethyl)phenyl]- (9ci) Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
53120-18-6 (methyl, carboxy[4-(1,1-dimethylethyl)phenyl]- (9ci)) Related Products
- 595-91-5(2,2,2-Triphenylacetic Acid)
- 7782-24-3((2S)-2-phenylpropanoic acid)
- 3585-52-2(2-(4-ethylphenyl)propanoic acid)
- 4476-28-2(4-Isopropylphenylacetic acid)
- 5558-66-7(2,2-Diphenylpropionic acid)
- 938-94-3(2-(p-Tolyl)propionic Acid)
- 7782-26-5((R)-(-)-2-Phenylpropionic acid)
- 32857-63-9(4-tert-Butylphenylacetic Acid)
- 826-55-1(2-methyl-2-phenylpropanoic acid)
- 492-37-5(2-Phenylpropionic acid)
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