Cas no 808768-96-9 (Benzeneacetic acid, 3-(2-hydroxy-2-methylpropyl)-)
808768-96-9 structure
Product Name:Benzeneacetic acid, 3-(2-hydroxy-2-methylpropyl)-
CAS No:808768-96-9
MF:C12H16O3
MW:208.253643989563
CID:583554
PubChem ID:46938719
Update Time:2025-04-19
Benzeneacetic acid, 3-(2-hydroxy-2-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, 3-(2-hydroxy-2-methylpropyl)-
- 2-[3-(2-hydroxy-2-methylpropyl)phenyl]acetic acid
- [3-(2-hydroxy-2-methylpropyl)-phenyl]-acetic acid
- SCHEMBL1561003
- [3-(2-hydroxy-2-methylpropyl)phenyl]acetic acid
- DTXSID00677392
- LNMRKNQYHPBGEF-UHFFFAOYSA-N
- 808768-96-9
- [3-(2-hydroxy-2-methyl-propyl)-phenyl]-acetic acid
-
- Inchi： 1S/C12H16O3/c1-12(2,15)8-10-5-3-4-9(6-10)7-11(13)14/h3-6,15H,7-8H2,1-2H3,(H,13,14)
- InChI Key： LNMRKNQYHPBGEF-UHFFFAOYSA-N
- SMILES： OC(C)(C)CC1C=CC=C(CC(=O)O)C=1
Computed Properties
- Exact Mass: 208.11
- Monoisotopic Mass: 208.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 223
- 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: 1.8
- Topological Polar Surface Area: 57.5A^2
Benzeneacetic acid, 3-(2-hydroxy-2-methylpropyl)- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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