Cas no 99337-10-7 (Benzeneacetic acid, a-ethyl-a-methyl-4-(1-methylethyl)-)
99337-10-7 structure
Product Name:Benzeneacetic acid, a-ethyl-a-methyl-4-(1-methylethyl)-
CAS No:99337-10-7
MF:C14H20O2
MW:220.307404518127
CID:802387
PubChem ID:13937971
Update Time:2025-04-19
Benzeneacetic acid, a-ethyl-a-methyl-4-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, a-ethyl-a-methyl-4-(1-methylethyl)-
- BENZENEACETIC ACID, -ALPHA--ETHYL--ALPHA--METHYL-4-(1-METHYLETHYL)- (9CI)
- Benzeneacetic acid, -α--ethyl--α--methyl-4-(1-methylethyl)- (9CI)
- Benzeneacetic acid,-alpha--ethyl--alpha--methyl-4-(1-methylethyl)-(9ci)
- 2-(4-Isopropylphenyl)-2-methylbutanoic acid
- SCHEMBL10796095
- 99337-10-7
-
- Inchi： 1S/C14H20O2/c1-5-14(4,13(15)16)12-8-6-11(7-9-12)10(2)3/h6-10H,5H2,1-4H3,(H,15,16)
- InChI Key： KIJIOYYJKAKKBC-UHFFFAOYSA-N
- SMILES： OC(C(C)(CC)C1C=CC(=CC=1)C(C)C)=O
Computed Properties
- Exact Mass: 220.14600
- Monoisotopic Mass: 220.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 239
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.30000
- LogP: 3.56230
Benzeneacetic acid, a-ethyl-a-methyl-4-(1-methylethyl)- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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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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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
99337-10-7 (Benzeneacetic acid, a-ethyl-a-methyl-4-(1-methylethyl)-) Related Products
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