Cas no 131524-42-0 (hexyl 2-formyl-3-hydroxybenzoate)
131524-42-0 structure
Product Name:hexyl 2-formyl-3-hydroxybenzoate
CAS No:131524-42-0
MF:C14H18O4
MW:250.290324687958
CID:1228985
PubChem ID:183067
Update Time:2025-04-20
hexyl 2-formyl-3-hydroxybenzoate Chemical and Physical Properties
Names and Identifiers
-
- hexyl 2-formyl-3-hydroxybenzoate
- Hexyl rhizoglyphinate
- SCHEMBL9618115
- DTXSID90157097
- 131524-42-0
-
- Inchi： 1S/C14H18O4/c1-2-3-4-5-9-18-14(17)11-7-6-8-13(16)12(11)10-15/h6-8,10,16H,2-5,9H2,1H3
- InChI Key： PIQGZGXYEQYPKR-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=C(C=1C=O)O)=O)CCCCCC
Computed Properties
- Exact Mass: 250.12054
- Monoisotopic Mass: 250.120509
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 265
- 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
- Topological Polar Surface Area: 63.6
- XLogP3: 3.8
Experimental Properties
- Density: 1.137
- Boiling Point: 385°C at 760 mmHg
- Flash Point: 140.4°C
- Refractive Index: 1.547
- PSA: 63.6
hexyl 2-formyl-3-hydroxybenzoate Related Literature
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1. 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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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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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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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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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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