Cas no 63087-77-4 (Benzoic acid, 3-hydroxy-4-(tetrahydro-2,6,6-trimethyl-2H-pyran-2-yl)-)
63087-77-4 structure
Product Name:Benzoic acid, 3-hydroxy-4-(tetrahydro-2,6,6-trimethyl-2H-pyran-2-yl)-
CAS No:63087-77-4
MF:C15H20O4
MW:264.316905021667
CID:427221
PubChem ID:14197385
Update Time:2025-04-19
Benzoic acid, 3-hydroxy-4-(tetrahydro-2,6,6-trimethyl-2H-pyran-2-yl)- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 3-hydroxy-4-(tetrahydro-2,6,6-trimethyl-2H-pyran-2-yl)-
- 3-hydroxy-4-(2,6,6-trimethyloxan-2-yl)benzoic acid
- 63087-77-4
- DTXSID30557239
-
- Inchi： 1S/C15H20O4/c1-14(2)7-4-8-15(3,19-14)11-6-5-10(13(17)18)9-12(11)16/h5-6,9,16H,4,7-8H2,1-3H3,(H,17,18)
- InChI Key： PPKSRWBBMMEDGG-UHFFFAOYSA-N
- SMILES： O1C(C)(C)CCCC1(C)C1C=CC(C(=O)O)=CC=1O
Computed Properties
- Exact Mass: 264.1362
- Monoisotopic Mass: 264.13615911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 352
- 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: 2.4
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
Benzoic acid, 3-hydroxy-4-(tetrahydro-2,6,6-trimethyl-2H-pyran-2-yl)- Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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