Cas no 20704-97-6 (2-[(butoxycarbonyl)oxy]benzoic acid)
![2-[(butoxycarbonyl)oxy]benzoic acid structure](https://ossimg.kuujia.com/scimg/21000/20704-97-6x500.png)
20704-97-6 structure
Product Name:2-[(butoxycarbonyl)oxy]benzoic acid
CAS No:20704-97-6
MF:C12H14O5
MW:238.236564159393
CID:1395692
PubChem ID:30232
Update Time:2025-04-20
2-[(butoxycarbonyl)oxy]benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-[(butoxycarbonyl)oxy]benzoic acid
- 2-butoxycarbonyloxybenzoic acid
- DTXSID10174761
- BRN 2942695
- SCHEMBL8589631
- CARBONIC ACID, BUTYL ESTER, ESTER with SALICYLIC ACID
- o-Carboxyphenyl carbonic acid butyl ester
- 20704-97-6
- Benzoic acid, 2-((butoxycarbonyl)oxy)-
-
- Inchi： 1S/C12H14O5/c1-2-3-8-16-12(15)17-10-7-5-4-6-9(10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)
- InChI Key： YTMGZSYPRSRQAU-UHFFFAOYSA-N
- SMILES： O(C(=O)OC1C=CC=CC=1C(=O)O)CCCC
Computed Properties
- Exact Mass: 238.08412
- Monoisotopic Mass: 238.08412354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 264
- 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: 2.8
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- PSA: 72.83
2-[(butoxycarbonyl)oxy]benzoic acid Related Literature
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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