Cas no 4180-57-8 (4-(2,3-dihydroxypropoxy)benzoic acid)
4180-57-8 structure
Product Name:4-(2,3-dihydroxypropoxy)benzoic acid
CAS No:4180-57-8
MF:C10H12O5
MW:212.199283599854
CID:1513377
PubChem ID:20148
Update Time:2025-04-21
4-(2,3-dihydroxypropoxy)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-(2,3-dihydroxypropoxy)benzoic acid
- BENZOIC ACID, p-(2,3-DIHYDROXYPROPOXY)-
- BRN 2645857
- DTXSID40961989
- 3-(p-Carboxyphenoxy)-1,2-propanediol
- 4180-57-8
- p-(2,3-Dihydroxypropoxy)benzoic acid
- SCHEMBL24198673
-
- Inchi： 1S/C10H12O5/c11-5-8(12)6-15-9-3-1-7(2-4-9)10(13)14/h1-4,8,11-12H,5-6H2,(H,13,14)
- InChI Key： KHVXZWBZADAAPR-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C(=O)O)=CC=1)CC(CO)O
Computed Properties
- Exact Mass: 212.06846
- Monoisotopic Mass: 212.068473
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 198
- 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
- Topological Polar Surface Area: 87
- XLogP3: 0.1
Experimental Properties
- Density: 1.374
- Boiling Point: 459.1°C at 760 mmHg
- Flash Point: 185.9°C
- Refractive Index: 1.59
- PSA: 86.99
4-(2,3-dihydroxypropoxy)benzoic acid Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
4180-57-8 (4-(2,3-dihydroxypropoxy)benzoic acid) Related Products
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