Cas no 861448-74-0 (Benzeneacetic acid,4-(2-hydroxy-2-methylpropyl)-)
861448-74-0 structure
Product Name:Benzeneacetic acid,4-(2-hydroxy-2-methylpropyl)-
CAS No:861448-74-0
MF:C12H16O3
MW:208.253643989563
CID:718306
PubChem ID:45117213
Update Time:2025-04-19
Benzeneacetic acid,4-(2-hydroxy-2-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid,4-(2-hydroxy-2-methylpropyl)-
- 4-(2-Hydroxy-2-methylpropyl)-benzeneacetic Acid-d6
- [4-(2-Hydroxy-2-methylpropyl)phenyl]acetic acid
- Benzeneacetic acid, 4-(2-hydroxy-2-methylpropyl)- (9CI)
- SUUHVPHFLVIIBF-UHFFFAOYSA-N
- 861448-74-0
- SCHEMBL5041863
-
- Inchi： 1S/C12H16O3/c1-12(2,15)8-10-5-3-9(4-6-10)7-11(13)14/h3-6,15H,7-8H2,1-2H3,(H,13,14)
- InChI Key： SUUHVPHFLVIIBF-UHFFFAOYSA-N
- SMILES： OC(C)(C)CC1C=CC(CC(=O)O)=CC=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: 215
- 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: 1.7
- Topological Polar Surface Area: 57.5A^2
Experimental Properties
- PSA: 57.53000
- LogP: 1.62710
Benzeneacetic acid,4-(2-hydroxy-2-methylpropyl)- Related Literature
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
861448-74-0 (Benzeneacetic acid,4-(2-hydroxy-2-methylpropyl)-) Related Products
- 51146-55-5(2-Hydroxyibuprofen)
- 1217055-71-4(rac 2-Hydroxy Ibuprofen-d6)
- 1553-60-2(2-[4-(2-methylpropyl)phenyl]acetic acid)
- 53949-54-5(Hydroxy Ibuprofen)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
Recommended suppliers
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
NewCan Biotech Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
SunaTech Inc.
Gold Member
Audited Supplier
CN Supplier
Reagent
